2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide

C19H17N5O — CID 166402315

IUPAC2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nnc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C19H17N5O/c1-13-7-6-10-16(11-13)21-19(25)14(2)24-17(12-20)18(22-23-24)15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,21,25)
InChIKeyKHORKPMLKFOOAI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.32
Rot. Bonds4

About 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide

2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide (PubChem CID 166402315) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide
PubChem CID166402315
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nnc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C19H17N5O/c1-13-7-6-10-16(11-13)21-19(25)14(2)24-17(12-20)18(22-23-24)15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,21,25)
InChIKeyKHORKPMLKFOOAI-UHFFFAOYSA-N
XLogP3.32
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640857
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
CID 144523280
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-cyanophenyl)propanamide
CID 9354269
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
(2R)-N-(3-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7528409
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide (CID 166402315) is 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)n2nnc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is KHORKPMLKFOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-7-6-10-16(11-13)21-19(25)14(2)24-17(12-20)18(22-23-24)15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H,21,25).
What are the key properties of 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide?
2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-4-phenyltriazol-1-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 166402315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).