5-cyclobutyl-1H-1,2,4-triazol-3-amine

C6H10N4 — CID 2757984

IUPAC5-cyclobutyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C6H10N4/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyFZFDWTMNAIGNKZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.65
Rot. Bonds1

About 5-cyclobutyl-1H-1,2,4-triazol-3-amine

5-cyclobutyl-1H-1,2,4-triazol-3-amine (PubChem CID 2757984) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-cyclobutyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclobutyl-1H-1,2,4-triazol-3-amine
PubChem CID2757984
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-cyclobutyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C6H10N4/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2,(H3,7,8,9,10)
InChIKeyFZFDWTMNAIGNKZ-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclobutyl-1H-1,2,4-triazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclobutyl-1H-1,2,4-triazol-3-amine (CID 2757984) is 5-cyclobutyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclobutyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclobutyl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-1H-1,2,4-triazol-3-amine?
The InChIKey is FZFDWTMNAIGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2,(H3,7,8,9,10).
What are the key properties of 5-cyclobutyl-1H-1,2,4-triazol-3-amine?
5-cyclobutyl-1H-1,2,4-triazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 2757984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).