1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole

C12H18N6 — CID 72892589

IUPAC1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole
SMILESCc1nc(Cn2nccn2)n(C2CCCCC2)n1
InChIInChI=1S/C12H18N6/c1-10-15-12(9-17-13-7-8-14-17)18(16-10)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyKYFKNIZQZMGVTA-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole

1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole (PubChem CID 72892589) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole
PubChem CID72892589
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole
SMILESCc1nc(Cn2nccn2)n(C2CCCCC2)n1
InChIInChI=1S/C12H18N6/c1-10-15-12(9-17-13-7-8-14-17)18(16-10)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyKYFKNIZQZMGVTA-UHFFFAOYSA-N
XLogP1.73
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole 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 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole (CID 72892589) is 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole is Cc1nc(Cn2nccn2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole?
The InChIKey is KYFKNIZQZMGVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-10-15-12(9-17-13-7-8-14-17)18(16-10)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole?
1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole has a molecular weight of 246.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-(triazol-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 72892589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).