N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide

C12H14N4O — CID 75508242

IUPACN-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESCn1cnnc1NC(=O)CCc1ccccc1
InChIInChI=1S/C12H14N4O/c1-16-9-13-15-12(16)14-11(17)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15,17)
InChIKeyLKCDBYGKNSYILF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.39
Rot. Bonds4

About N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide

N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide (PubChem CID 75508242) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
PubChem CID75508242
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide
SMILESCn1cnnc1NC(=O)CCc1ccccc1
InChIInChI=1S/C12H14N4O/c1-16-9-13-15-12(16)14-11(17)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15,17)
InChIKeyLKCDBYGKNSYILF-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 839995
4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
CID 25141500
7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 2933025
6-phenyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
CID 135413661
4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
CID 795426
3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 888108
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 892616
4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 894972
N-methyl-2-phenyl-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 1214462
2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide
CID 154865835
4-phenyl-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 957291
2-Phenyl-1-(1,2,4-triazol-1-yl)ethanone
CID 3505427

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide (CID 75508242) is N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide is Cn1cnnc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
The InChIKey is LKCDBYGKNSYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-13-15-12(16)14-11(17)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15,17).
What are the key properties of N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide?
N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,4-triazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 75508242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).