3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane

C15H22N4O — CID 158218730

IUPAC3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane
SMILESCC.Cc1c(CCC(=O)Nc2ccccc2)nnn1C
InChIInChI=1S/C13H16N4O.C2H6/c1-10-12(15-16-17(10)2)8-9-13(18)14-11-6-4-3-5-7-11;1-2/h3-7H,8-9H2,1-2H3,(H,14,18);1-2H3
InChIKeyGCZFZGJEGDLOBS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.72
Rot. Bonds4

About 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane

3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane (PubChem CID 158218730) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane.

Molecular Properties

Compound Name3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane
PubChem CID158218730
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane
SMILESCC.Cc1c(CCC(=O)Nc2ccccc2)nnn1C
InChIInChI=1S/C13H16N4O.C2H6/c1-10-12(15-16-17(10)2)8-9-13(18)14-11-6-4-3-5-7-11;1-2/h3-7H,8-9H2,1-2H3,(H,14,18);1-2H3
InChIKeyGCZFZGJEGDLOBS-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-phenylpropanamide
CID 90130787
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane?
The IUPAC name of 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane (CID 158218730) is 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane.
What is the SMILES notation for 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane?
The canonical SMILES for 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane is CC.Cc1c(CCC(=O)Nc2ccccc2)nnn1C.
What is the InChIKey of 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane?
The InChIKey is GCZFZGJEGDLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C2H6/c1-10-12(15-16-17(10)2)8-9-13(18)14-11-6-4-3-5-7-11;1-2/h3-7H,8-9H2,1-2H3,(H,14,18);1-2H3.
What are the key properties of 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane?
3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane has a molecular weight of 274.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyltriazol-4-yl)-N-phenylpropanamide;ethane is sourced from PubChem (CID 158218730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).