Home Cart 0 Sign in  

[ CAS No. 1187830-84-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1187830-84-7
Chemical Structure| 1187830-84-7
Structure of 1187830-84-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1187830-84-7 ]

Related Doc. of [ 1187830-84-7 ]

Alternatived Products of [ 1187830-84-7 ]

Product Details of [ 1187830-84-7 ]

CAS No. :1187830-84-7 MDL No. :MFCD09878589
Formula : C6H10ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :HHISCLFBXNGLCE-UHFFFAOYSA-N
M.W : 159.62 Pubchem ID :44118271
Synonyms :

Calculated chemistry of [ 1187830-84-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.83
TPSA : 29.85 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.07
Log Po/w (WLOGP) : 0.26
Log Po/w (MLOGP) : -0.21
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : 0.11

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.16
Solubility : 11.2 mg/ml ; 0.0699 mol/l
Class : Very soluble
Log S (Ali) : -0.11
Solubility : 125.0 mg/ml ; 0.784 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.25
Solubility : 9.06 mg/ml ; 0.0568 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.1

Safety of [ 1187830-84-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 1187830-84-7 ]

Other Aromatic Heterocycles

Chemical Structure| 91476-80-1

[ 91476-80-1 ]

5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine

Similarity: 0.98

Chemical Structure| 1187830-45-0

[ 1187830-45-0 ]

3-Bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride

Similarity: 0.81

Chemical Structure| 274-79-3

[ 274-79-3 ]

Imidazo[1,2-a]pyrazine

Similarity: 0.80

Chemical Structure| 734531-00-1

[ 734531-00-1 ]

3-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

Similarity: 0.72

Chemical Structure| 26538-77-2

[ 26538-77-2 ]

Imidazo[1,5-a]pyrazin-8-amine

Similarity: 0.71