2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine

C9H16N4O — CID 79872890

IUPAC2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(C2CCCCC2)n1
InChIInChI=1S/C9H16N4O/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyOYQQNEWFMMDEAN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.37
Rot. Bonds2

About 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine

2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine (PubChem CID 79872890) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine
PubChem CID79872890
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine
SMILESCOc1nc(N)n(C2CCCCC2)n1
InChIInChI=1S/C9H16N4O/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyOYQQNEWFMMDEAN-UHFFFAOYSA-N
XLogP1.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-5-methoxy-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 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine?
The IUPAC name of 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine (CID 79872890) is 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine?
The canonical SMILES for 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine is COc1nc(N)n(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine?
The InChIKey is OYQQNEWFMMDEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-9-11-8(10)13(12-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine?
2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine is sourced from PubChem (CID 79872890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).