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

C15H25N3 — CID 67695959

IUPAC1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole
SMILESCC(C)(C)C/C(=C\C1CCCCC1)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/b14-9+
InChIKeyYQSQCONOVJAJQK-NTEUORMPSA-N
MW247.39 g/mol
LogP4.14
Rot. Bonds3

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

1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole (PubChem CID 67695959) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole
PubChem CID67695959
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole
SMILESCC(C)(C)C/C(=C\C1CCCCC1)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/b14-9+
InChIKeyYQSQCONOVJAJQK-NTEUORMPSA-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-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole?
The IUPAC name of 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole (CID 67695959) is 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole is CC(C)(C)C/C(=C\C1CCCCC1)n1cncn1.
What is the InChIKey of 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole?
The InChIKey is YQSQCONOVJAJQK-NTEUORMPSA-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/b14-9+.
What are the key properties of 1-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole?
1-[(E)-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-[(E)-1-cyclohexyl-4,4-dimethylpent-1-en-2-yl]-1,2,4-triazole is sourced from PubChem (CID 67695959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).