N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide

C10H8F2N4O — CID 82819667

IUPACN-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2ncn[nH]2)c1F
InChIInChI=1S/C10H8F2N4O/c1-5-2-3-6(11)8(7(5)12)15-10(17)9-13-4-14-16-9/h2-4H,1H3,(H,15,17)(H,13,14,16)
InChIKeyBVGGLCAYFDHQOT-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.64
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 82819667) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID82819667
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2ncn[nH]2)c1F
InChIInChI=1S/C10H8F2N4O/c1-5-2-3-6(11)8(7(5)12)15-10(17)9-13-4-14-16-9/h2-4H,1H3,(H,15,17)(H,13,14,16)
InChIKeyBVGGLCAYFDHQOT-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 82819667) is N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1ccc(F)c(NC(=O)c2ncn[nH]2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BVGGLCAYFDHQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c1-5-2-3-6(11)8(7(5)12)15-10(17)9-13-4-14-16-9/h2-4H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 82819667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).