8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C12H10ClN5 — CID 87058900

IUPAC8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cccc(Nc2nc3c(Cl)nccn3n2)c1
InChIInChI=1S/C12H10ClN5/c1-8-3-2-4-9(7-8)15-12-16-11-10(13)14-5-6-18(11)17-12/h2-7H,1H3,(H,15,17)
InChIKeyWMJDYGFAONOPPU-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.83
Rot. Bonds2

About 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 87058900) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID87058900
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCc1cccc(Nc2nc3c(Cl)nccn3n2)c1
InChIInChI=1S/C12H10ClN5/c1-8-3-2-4-9(7-8)15-12-16-11-10(13)14-5-6-18(11)17-12/h2-7H,1H3,(H,15,17)
InChIKeyWMJDYGFAONOPPU-UHFFFAOYSA-N
XLogP2.83
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584169
8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584174
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
2-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-8-N-(3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584072
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
2-chloro-4-N-(3-methylphenyl)pyridine-3,4-diamine
CID 84697272
8-chloro-N-cyclohepta-1,3,6-trien-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 134356282
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 87058900) is 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cc1cccc(Nc2nc3c(Cl)nccn3n2)c1.
What is the InChIKey of 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is WMJDYGFAONOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-8-3-2-4-9(7-8)15-12-16-11-10(13)14-5-6-18(11)17-12/h2-7H,1H3,(H,15,17).
What are the key properties of 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 259.70 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 87058900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).