5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide

C11H12N4O — CID 169402107

IUPAC5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1cccc(-c2n[nH]nc2C(N)=O)c1C
InChIInChI=1S/C11H12N4O/c1-6-4-3-5-8(7(6)2)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyFJWHIZXJWZNWMK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.19
Rot. Bonds2

About 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide

5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide (PubChem CID 169402107) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
PubChem CID169402107
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1cccc(-c2n[nH]nc2C(N)=O)c1C
InChIInChI=1S/C11H12N4O/c1-6-4-3-5-8(7(6)2)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyFJWHIZXJWZNWMK-UHFFFAOYSA-N
XLogP1.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxy-3-propan-2-ylphenyl)-2H-triazole-4-carboxamide
CID 169404898
5-(1,4-dimethyl-9H-carbazol-3-yl)-2H-triazole-4-carboxamide
CID 169403288
methyl 2-bromo-6-(5-carbamoyl-2H-triazol-4-yl)benzoate
CID 169404868
5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
CID 169402539
5-[2-iodo-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169404458
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
CID 169403148
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
5-[2-(pentoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402571

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide (CID 169402107) is 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide is Cc1cccc(-c2n[nH]nc2C(N)=O)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is FJWHIZXJWZNWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-6-4-3-5-8(7(6)2)9-10(11(12)16)14-15-13-9/h3-5H,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide?
5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).