3-cyclohexyl-4,5-dimethyl-1,2,4-triazole

C10H17N3 — CID 59796398

IUPAC3-cyclohexyl-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(C2CCCCC2)n1C
InChIInChI=1S/C10H17N3/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyIIKNKWXREFJGGF-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.17
Rot. Bonds1

About 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole

3-cyclohexyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 59796398) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-4,5-dimethyl-1,2,4-triazole
PubChem CID59796398
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-cyclohexyl-4,5-dimethyl-1,2,4-triazole
SMILESCc1nnc(C2CCCCC2)n1C
InChIInChI=1S/C10H17N3/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyIIKNKWXREFJGGF-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole (CID 59796398) is 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole is Cc1nnc(C2CCCCC2)n1C.
What is the InChIKey of 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is IIKNKWXREFJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-11-12-10(13(8)2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole?
3-cyclohexyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 59796398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).