8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C12H11ClN6 — CID 58328692

IUPAC8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(NCc3ccc(Cl)cc3)nccn12
InChIInChI=1S/C12H11ClN6/c13-9-3-1-8(2-4-9)7-16-10-11-17-18-12(14)19(11)6-5-15-10/h1-6H,7H2,(H2,14,18)(H,15,16)
InChIKeyXYXVMWHKJYIKRY-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.97
Rot. Bonds3

About 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328692) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328692
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC Name8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(NCc3ccc(Cl)cc3)nccn12
InChIInChI=1S/C12H11ClN6/c13-9-3-1-8(2-4-9)7-16-10-11-17-18-12(14)19(11)6-5-15-10/h1-6H,7H2,(H2,14,18)(H,15,16)
InChIKeyXYXVMWHKJYIKRY-UHFFFAOYSA-N
XLogP1.97
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328653
8-N-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328723
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
3-N-methyl-8-N-[(4-phenylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328603
8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328594
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
N-[(3-chloro-4-fluorophenyl)methyl]-3-[(2S)-thiolan-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 130226388
4-[[(3-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]benzonitrile
CID 171691050
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730342

Frequently Asked Questions

What is the IUPAC name of 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328692) is 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is Nc1nnc2c(NCc3ccc(Cl)cc3)nccn12.
What is the InChIKey of 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is XYXVMWHKJYIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c13-9-3-1-8(2-4-9)7-16-10-11-17-18-12(14)19(11)6-5-15-10/h1-6H,7H2,(H2,14,18)(H,15,16).
What are the key properties of 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 274.72 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).