N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide

C11H10FN5O2 — CID 47381403

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H10FN5O2/c1-5-7(12)2-6(10(13)18)3-8(5)15-11(19)9-4-14-17-16-9/h2-4H,1H3,(H2,13,18)(H,15,19)(H,14,16,17)
InChIKeyLYXVGXGILUJYGF-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.60
Rot. Bonds3

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide (PubChem CID 47381403) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide
PubChem CID47381403
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H10FN5O2/c1-5-7(12)2-6(10(13)18)3-8(5)15-11(19)9-4-14-17-16-9/h2-4H,1H3,(H2,13,18)(H,15,19)(H,14,16,17)
InChIKeyLYXVGXGILUJYGF-UHFFFAOYSA-N
XLogP0.60
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide (CID 47381403) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is LYXVGXGILUJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c1-5-7(12)2-6(10(13)18)3-8(5)15-11(19)9-4-14-17-16-9/h2-4H,1H3,(H2,13,18)(H,15,19)(H,14,16,17).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 263.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47381403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).