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

C9H7ClN4O — CID 804912

IUPACN-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ncn[nH]1
InChIInChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h1-5H,(H,13,15)(H,11,12,14)
InChIKeyQFUWKVRRYGDANS-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.71
Rot. Bonds2

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

N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 804912) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID804912
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC NameN-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ncn[nH]1
InChIInChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h1-5H,(H,13,15)(H,11,12,14)
InChIKeyQFUWKVRRYGDANS-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 176585431
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
N-(2,4-diiodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 71960344
3-(2-chlorophenyl)-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64512474
N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 56857585
3,5-dichloro-4-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 82830260
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide (CID 804912) is N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccccc1Cl)c1ncn[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QFUWKVRRYGDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-6-3-1-2-4-7(6)13-9(15)8-11-5-12-14-8/h1-5H,(H,13,15)(H,11,12,14).
What are the key properties of N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 222.64 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 804912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).