N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide

C11H11ClN4O3 — CID 78969253

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cn[nH]n2)cc1OC
InChIInChI=1S/C11H11ClN4O3/c1-18-9-3-6(12)7(4-10(9)19-2)14-11(17)8-5-13-16-15-8/h3-5H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyGXOXARLYJHVMEV-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.73
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 78969253) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID78969253
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cn[nH]n2)cc1OC
InChIInChI=1S/C11H11ClN4O3/c1-18-9-3-6(12)7(4-10(9)19-2)14-11(17)8-5-13-16-15-8/h3-5H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyGXOXARLYJHVMEV-UHFFFAOYSA-N
XLogP1.73
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 47381384
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2H-triazole-4-carboxamide
CID 47367693
4-chloro-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283058
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60709422
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide (CID 78969253) is N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide is COc1cc(Cl)c(NC(=O)c2cn[nH]n2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is GXOXARLYJHVMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-18-9-3-6(12)7(4-10(9)19-2)14-11(17)8-5-13-16-15-8/h3-5H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 282.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).