1-(3,4-dimethylcyclohexyl)-1,2,4-triazole

C10H17N3 — CID 64738678

IUPAC1-(3,4-dimethylcyclohexyl)-1,2,4-triazole
SMILESCC1CCC(n2cncn2)CC1C
InChIInChI=1S/C10H17N3/c1-8-3-4-10(5-9(8)2)13-7-11-6-12-13/h6-10H,3-5H2,1-2H3
InChIKeyXACAVNBBTDTZTF-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.28
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole

1-(3,4-dimethylcyclohexyl)-1,2,4-triazole (PubChem CID 64738678) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1,2,4-triazole
PubChem CID64738678
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(3,4-dimethylcyclohexyl)-1,2,4-triazole
SMILESCC1CCC(n2cncn2)CC1C
InChIInChI=1S/C10H17N3/c1-8-3-4-10(5-9(8)2)13-7-11-6-12-13/h6-10H,3-5H2,1-2H3
InChIKeyXACAVNBBTDTZTF-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole (CID 64738678) is 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole is CC1CCC(n2cncn2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole?
The InChIKey is XACAVNBBTDTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-10(5-9(8)2)13-7-11-6-12-13/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole?
1-(3,4-dimethylcyclohexyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1,2,4-triazole is sourced from PubChem (CID 64738678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).