1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole

C15H25N3 — CID 54522386

IUPAC1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole
SMILESCC(C)(C)CC(=CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25N3/c1-15(2,3)10-14(18-12-16-11-17-18)9-13-7-5-4-6-8-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeyYQSQCONOVJAJQK-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.14
Rot. Bonds3

About 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole

1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole (PubChem CID 54522386) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole
PubChem CID54522386
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole
SMILESCC(C)(C)CC(=CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25N3/c1-15(2,3)10-14(18-12-16-11-17-18)9-13-7-5-4-6-8-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeyYQSQCONOVJAJQK-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole?
The IUPAC name of 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole (CID 54522386) is 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole is CC(C)(C)CC(=CC1CCCCC1)n1cncn1.
What is the InChIKey of 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole?
The InChIKey is YQSQCONOVJAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)10-14(18-12-16-11-17-18)9-13-7-5-4-6-8-13/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole?
1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole has a molecular weight of 247.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-4,4-dimethylpent-1-en-2-yl)-1,2,4-triazole is sourced from PubChem (CID 54522386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).