1-(4-ethylcyclohexyl)-1,2,4-triazole

C10H17N3 — CID 64776319

IUPAC1-(4-ethylcyclohexyl)-1,2,4-triazole
SMILESCCC1CCC(n2cncn2)CC1
InChIInChI=1S/C10H17N3/c1-2-9-3-5-10(6-4-9)13-8-11-7-12-13/h7-10H,2-6H2,1H3
InChIKeyNDSKFEDQJXIKOH-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.42
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-1,2,4-triazole

1-(4-ethylcyclohexyl)-1,2,4-triazole (PubChem CID 64776319) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-1,2,4-triazole
PubChem CID64776319
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(4-ethylcyclohexyl)-1,2,4-triazole
SMILESCCC1CCC(n2cncn2)CC1
InChIInChI=1S/C10H17N3/c1-2-9-3-5-10(6-4-9)13-8-11-7-12-13/h7-10H,2-6H2,1H3
InChIKeyNDSKFEDQJXIKOH-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-1,2,4-triazole?
The IUPAC name of 1-(4-ethylcyclohexyl)-1,2,4-triazole (CID 64776319) is 1-(4-ethylcyclohexyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-ethylcyclohexyl)-1,2,4-triazole is CCC1CCC(n2cncn2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-1,2,4-triazole?
The InChIKey is NDSKFEDQJXIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9-3-5-10(6-4-9)13-8-11-7-12-13/h7-10H,2-6H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-1,2,4-triazole?
1-(4-ethylcyclohexyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-1,2,4-triazole is sourced from PubChem (CID 64776319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).