N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide

C12H13N5O2 — CID 78969673

IUPACN-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H13N5O2/c1-17(2)12(19)8-5-3-4-6-9(8)14-11(18)10-7-13-16-15-10/h3-7H,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyUXPFYXUVGUVOHT-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.76
Rot. Bonds3

About N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide

N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 78969673) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID78969673
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H13N5O2/c1-17(2)12(19)8-5-3-4-6-9(8)14-11(18)10-7-13-16-15-10/h3-7H,1-2H3,(H,14,18)(H,13,15,16)
InChIKeyUXPFYXUVGUVOHT-UHFFFAOYSA-N
XLogP0.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669
methyl 2-(2H-triazole-4-carbonylamino)benzoate
CID 78969246
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
N-(4-bromonaphthalen-1-yl)-2H-triazole-4-carboxamide
CID 112551550
5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
N-[2-(dimethylcarbamoyl)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 39231573
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide (CID 78969673) is N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide is CN(C)C(=O)c1ccccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is UXPFYXUVGUVOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-17(2)12(19)8-5-3-4-6-9(8)14-11(18)10-7-13-16-15-10/h3-7H,1-2H3,(H,14,18)(H,13,15,16).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).