3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide

C9H16N6O — CID 62792684

IUPAC3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCC(N)CC2)n1
InChIInChI=1S/C9H16N6O/c10-5-1-3-6(4-2-5)12-8(16)7-13-9(11)15-14-7/h5-6H,1-4,10H2,(H,12,16)(H3,11,13,14,15)
InChIKeyHKPPCOOTKZCESY-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.61
Rot. Bonds2

About 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792684) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792684
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCC(N)CC2)n1
InChIInChI=1S/C9H16N6O/c10-5-1-3-6(4-2-5)12-8(16)7-13-9(11)15-14-7/h5-6H,1-4,10H2,(H,12,16)(H3,11,13,14,15)
InChIKeyHKPPCOOTKZCESY-UHFFFAOYSA-N
XLogP-0.61
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide 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 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 62792684) is 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCC(N)CC2)n1.
What is the InChIKey of 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HKPPCOOTKZCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c10-5-1-3-6(4-2-5)12-8(16)7-13-9(11)15-14-7/h5-6H,1-4,10H2,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.27 g/mol, XLogP of -0.61, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).