2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide

C14H16N4O2 — CID 82201976

IUPAC2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)n2nnc(C=O)c2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9-4-6-12(7-5-9)15-14(20)11(3)18-10(2)13(8-19)16-17-18/h4-8,11H,1-3H3,(H,15,20)
InChIKeyZNNLDXHCLZCANP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.91
Rot. Bonds4

About 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide

2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide (PubChem CID 82201976) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
PubChem CID82201976
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)n2nnc(C=O)c2C)cc1
InChIInChI=1S/C14H16N4O2/c1-9-4-6-12(7-5-9)15-14(20)11(3)18-10(2)13(8-19)16-17-18/h4-8,11H,1-3H3,(H,15,20)
InChIKeyZNNLDXHCLZCANP-UHFFFAOYSA-N
XLogP1.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(4-formyl-5-methyltriazol-1-yl)propanamide
CID 82202006
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
CID 82202007
2-[1-(4-methylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19488055
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide (CID 82201976) is 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)n2nnc(C=O)c2C)cc1.
What is the InChIKey of 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is ZNNLDXHCLZCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-4-6-12(7-5-9)15-14(20)11(3)18-10(2)13(8-19)16-17-18/h4-8,11H,1-3H3,(H,15,20).
What are the key properties of 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide?
2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 82201976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).