3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one

C15H19N3O — CID 112744711

IUPAC3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCCCn1ncnc1C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H19N3O/c1-3-10-18-15(16-11-17-18)14(19)9-8-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyUZCZRCPUMPWLQR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one

3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one (PubChem CID 112744711) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one
PubChem CID112744711
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCCCn1ncnc1C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H19N3O/c1-3-10-18-15(16-11-17-18)14(19)9-8-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10H2,1-2H3
InChIKeyUZCZRCPUMPWLQR-UHFFFAOYSA-N
XLogP2.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
CID 25141500
1-p-Tolyl-2-[1,2,4]triazol-1-yl-ethanone
CID 16682208
1-(1-Methyltetrazol-5-yl)-7-phenylheptan-1-one
CID 24949074
4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
CID 4293121
1-Azolyl-4-phenyl-2-butanone, 33
CID 44604344
7-Phenyl-1-(4H-1,2,4-triazol-3-yl)-heptan-1-one
CID 24950681
4-[2-(4-Tert-butylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 9438489
1-(4-Methylphenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone
CID 739371
1-Azolyl-4-phenyl-2-butanone, 30
CID 57339883
1-Azolyl-4-phenyl-2-butanone, 34
CID 57339885
3-(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)-1-phenylpropan-1-one
CID 72881642
3-[Methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-phenylpropan-1-one
CID 84597604

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one (CID 112744711) is 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one is CCCn1ncnc1C(=O)CCc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one?
The InChIKey is UZCZRCPUMPWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10-18-15(16-11-17-18)14(19)9-8-13-6-4-12(2)5-7-13/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one?
3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)propan-1-one is sourced from PubChem (CID 112744711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).