N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C19H17N5O — CID 78796847

IUPACN-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O/c1-23(14-8-13-20)19(25)17-21-18(15-9-4-2-5-10-15)24(22-17)16-11-6-3-7-12-16/h2-7,9-12H,8,14H2,1H3
InChIKeyLKRAUYNEAHVYAF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.92
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 78796847) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID78796847
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H17N5O/c1-23(14-8-13-20)19(25)17-21-18(15-9-4-2-5-10-15)24(22-17)16-11-6-3-7-12-16/h2-7,9-12H,8,14H2,1H3
InChIKeyLKRAUYNEAHVYAF-UHFFFAOYSA-N
XLogP2.92
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119653023
N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 47786385
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42880927
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 17052353
ethyl 2-cyano-3-(1,5-diphenyl-1,2,4-triazol-3-yl)-3-oxopropanoate
CID 12830569
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
N,5-dimethyl-1-phenyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 42656765
N-methyl-1-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 17052382
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 61069381
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 52718659

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 78796847) is N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is CN(CCC#N)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is LKRAUYNEAHVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23(14-8-13-20)19(25)17-21-18(15-9-4-2-5-10-15)24(22-17)16-11-6-3-7-12-16/h2-7,9-12H,8,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78796847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).