3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine

C6H8N6 — CID 71364813

IUPAC3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine
SMILESCn1cnc(-c2ncn[nH]2)c1N
InChIInChI=1S/C6H8N6/c1-12-3-9-4(5(12)7)6-8-2-10-11-6/h2-3H,7H2,1H3,(H,8,10,11)
InChIKeyPQUFQKHCBKPVCJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.21
Rot. Bonds1

About 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine

3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine (PubChem CID 71364813) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine
PubChem CID71364813
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine
SMILESCn1cnc(-c2ncn[nH]2)c1N
InChIInChI=1S/C6H8N6/c1-12-3-9-4(5(12)7)6-8-2-10-11-6/h2-3H,7H2,1H3,(H,8,10,11)
InChIKeyPQUFQKHCBKPVCJ-UHFFFAOYSA-N
XLogP-0.21
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-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

Furazan, 3-(dimethylaminomethylenamino)-4-(1,2,4-triazol-3-yl)-
CID 557765
5-(3-methyl-5-nitroimidazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 171358723
3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
CID 166698057
2-chloro-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine;hydrochloride
CID 135539725
5-methyl-3-(3-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53750869
5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 53788225
3-(3,5-dimethylimidazol-4-yl)-5-methyl-1H-1,2,4-triazole
CID 134194624
5-(3-methyl-1H-1,2,4-triazol-5-yl)-N-pentyl-1H-imidazol-4-amine
CID 135984702
N-Pentyl-5-(1H-1,2,4-triazol-5-yl)-1H-imidazol-4-amine
CID 135984707
5-methyl-3-(5-methyl-1H-imidazol-4-yl)-1H-1,2,4-triazole
CID 136067015
ethane;5-methyl-3-(5-methyl-1H-imidazol-4-yl)-1H-1,2,4-triazole
CID 141879714
ethane;5-methyl-3-(1-methylimidazol-4-yl)-1H-1,2,4-triazole
CID 144209673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine?
The IUPAC name of 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine (CID 71364813) is 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine?
The canonical SMILES for 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine is Cn1cnc(-c2ncn[nH]2)c1N.
What is the InChIKey of 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine?
The InChIKey is PQUFQKHCBKPVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-12-3-9-4(5(12)7)6-8-2-10-11-6/h2-3H,7H2,1H3,(H,8,10,11).
What are the key properties of 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine?
3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine has a molecular weight of 164.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1H-1,2,4-triazol-5-yl)imidazol-4-amine is sourced from PubChem (CID 71364813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).