N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide

C19H20N4O — CID 46550128

IUPACN-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccccc2)nc1C)c1ccccc1C
InChIInChI=1S/C19H20N4O/c1-4-22(17-13-9-8-10-14(17)2)19(24)18-15(3)20-23(21-18)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3
InChIKeyAIAHWSGAMWHWRW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.55
Rot. Bonds4

About N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide

N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 46550128) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID46550128
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccccc2)nc1C)c1ccccc1C
InChIInChI=1S/C19H20N4O/c1-4-22(17-13-9-8-10-14(17)2)19(24)18-15(3)20-23(21-18)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3
InChIKeyAIAHWSGAMWHWRW-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-5-methyl-2-phenyltriazole-4-carboxamide
CID 43025121
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
3-tert-butyl-N-ethyl-1-methyl-N-(2-methylphenyl)pyrazole-5-carboxamide
CID 87024381
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
N-ethyl-N-(2-methylphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551179
3-chloro-N-ethyl-6-hydrazinyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 62233776
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
2-chloro-N-ethyl-N-(2-methylphenyl)furan-3-carboxamide
CID 106685239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide (CID 46550128) is N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide is CCN(C(=O)c1nn(-c2ccccc2)nc1C)c1ccccc1C.
What is the InChIKey of N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is AIAHWSGAMWHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-4-22(17-13-9-8-10-14(17)2)19(24)18-15(3)20-23(21-18)16-11-6-5-7-12-16/h5-13H,4H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide?
N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46550128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).