N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

C10H8ClFN4O — CID 107530898

IUPACN-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(F)ccc2Cl)n[nH]1
InChIInChI=1S/C10H8ClFN4O/c1-5-13-9(16-15-5)10(17)14-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,14,17)(H,13,15,16)
InChIKeyJOAZNSVGKWDKAU-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.16
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107530898) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107530898
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC NameN-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(F)ccc2Cl)n[nH]1
InChIInChI=1S/C10H8ClFN4O/c1-5-13-9(16-15-5)10(17)14-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,14,17)(H,13,15,16)
InChIKeyJOAZNSVGKWDKAU-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-iodophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107629560
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N-(2,5-difluoro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
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N-(2-bromo-5-chloro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
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N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107531327
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
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CID 107531326

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 107530898) is N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2cc(F)ccc2Cl)n[nH]1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is JOAZNSVGKWDKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-5-13-9(16-15-5)10(17)14-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107530898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).