N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

C18H19N5O — CID 46687305

IUPACN-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C18H19N5O/c1-13-17(21-23(20-13)14-9-5-4-6-10-14)18(24)19-15-11-7-8-12-16(15)22(2)3/h4-12H,1-3H3,(H,19,24)
InChIKeyNSKMOPKYFBOEJF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 46687305) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID46687305
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C18H19N5O/c1-13-17(21-23(20-13)14-9-5-4-6-10-14)18(24)19-15-11-7-8-12-16(15)22(2)3/h4-12H,1-3H3,(H,19,24)
InChIKeyNSKMOPKYFBOEJF-UHFFFAOYSA-N
XLogP2.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
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CID 33151610
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(4,5-dichloro-2-methoxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 154839957
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33227743
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 46687305) is N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is NSKMOPKYFBOEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-17(21-23(20-13)14-9-5-4-6-10-14)18(24)19-15-11-7-8-12-16(15)22(2)3/h4-12H,1-3H3,(H,19,24).
What are the key properties of N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46687305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).