5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one

C14H17N3O — CID 167574647

IUPAC5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1nnc(C)c1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-11(18)7-6-10-17-14(12(2)15-16-17)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyDWTNXWMZRLEPJY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds5

About 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one

5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one (PubChem CID 167574647) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one
PubChem CID167574647
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1nnc(C)c1-c1ccccc1
InChIInChI=1S/C14H17N3O/c1-11(18)7-6-10-17-14(12(2)15-16-17)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyDWTNXWMZRLEPJY-UHFFFAOYSA-N
XLogP2.62
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-methyl-4-phenyltriazol-1-yl)pentan-2-one
CID 167610967
2-(4-methyl-5-phenyltriazol-1-yl)ethanol
CID 18726601
(2R)-2-methyl-4-(4-methyl-5-phenyltriazol-1-yl)-2-methylsulfonylbutanoic acid
CID 70817818
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223
4-methyl-5-phenyl-1-prop-2-ynyltriazole
CID 126847456
1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
CID 82207520
2-(4-acetyl-5-phenyltriazol-1-yl)acetic acid
CID 82202879
ethyl 1-(3-fluoropropyl)-5-phenyltriazole-4-carboxylate
CID 103104588
1-(4-methoxybutyl)-5-phenyltriazole-4-carboxylic acid
CID 102642587
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
5-(5-methyl-4-phenyl-1,2-dihydrotriazol-3-yl)pentan-2-one
CID 167610968

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one?
The IUPAC name of 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one (CID 167574647) is 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one?
The canonical SMILES for 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one is CC(=O)CCCn1nnc(C)c1-c1ccccc1.
What is the InChIKey of 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one?
The InChIKey is DWTNXWMZRLEPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(18)7-6-10-17-14(12(2)15-16-17)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one?
5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one is sourced from PubChem (CID 167574647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).