N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C11H11ClN4O3 — CID 715099

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ncn[nH]2)c(OC)cc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-18-8-4-7(9(19-2)3-6(8)12)15-11(17)10-13-5-14-16-10/h3-5H,1-2H3,(H,15,17)(H,13,14,16)
InChIKeyGRJKDPNJFNGLRL-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.73
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 715099) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID715099
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ncn[nH]2)c(OC)cc1Cl
InChIInChI=1S/C11H11ClN4O3/c1-18-8-4-7(9(19-2)3-6(8)12)15-11(17)10-13-5-14-16-10/h3-5H,1-2H3,(H,15,17)(H,13,14,16)
InChIKeyGRJKDPNJFNGLRL-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-(3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 741074
N-(4-chloro-2,5-dimethoxyphenyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 749664
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 15992281
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 25665411
N-[2-(difluoromethoxy)-5-methoxyphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 80373544
N~3~-(4-Chloro-2,5-dimethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 22432347
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 164851972
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466486
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 15944286
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 15944311
N-(4-chloro-2,5-dimethoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 16380483
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17376200

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 715099) is N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide is COc1cc(NC(=O)c2ncn[nH]2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GRJKDPNJFNGLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-18-8-4-7(9(19-2)3-6(8)12)15-11(17)10-13-5-14-16-10/h3-5H,1-2H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-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-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 715099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).