1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one

C15H25N3O — CID 13289762

IUPAC1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeySVWWIDZJONSTND-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.40
Rot. Bonds4

About 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one

1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one (PubChem CID 13289762) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one.

Molecular Properties

Compound Name1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one
PubChem CID13289762
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one
SMILESCC(C)(C)C(=O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeySVWWIDZJONSTND-UHFFFAOYSA-N
XLogP3.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one?
The IUPAC name of 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one (CID 13289762) is 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one.
What is the SMILES notation for 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one?
The canonical SMILES for 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one is CC(C)(C)C(=O)C(CC1CCCCC1)n1cncn1.
What is the InChIKey of 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one?
The InChIKey is SVWWIDZJONSTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one?
1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one has a molecular weight of 263.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one is sourced from PubChem (CID 13289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).