3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C10H9FN4O — CID 115659809

IUPAC3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H9FN4O/c1-6-2-7(4-8(11)3-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyKLTRFMRWHPPWNB-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.50
Rot. Bonds2

About 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 115659809) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID115659809
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H9FN4O/c1-6-2-7(4-8(11)3-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16)
InChIKeyKLTRFMRWHPPWNB-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
N-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trifluorophenyl)acetamide
CID 110487509
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 103803573
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110463040
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 115659809) is 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1cc(F)cc(C(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is KLTRFMRWHPPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-6-2-7(4-8(11)3-6)9(16)14-10-12-5-13-15-10/h2-5H,1H3,(H2,12,13,14,15,16).
What are the key properties of 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 220.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 115659809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).