2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

C12H8FN5O2 — CID 135465188

IUPAC2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1F
InChIInChI=1S/C12H8FN5O2/c13-8-4-2-1-3-7(8)11(20)16-9-5-10(19)17-12-14-6-15-18(9)12/h1-6H,(H,16,20)(H,14,15,17,19)
InChIKeyXKXWIEWIXRQRCK-UHFFFAOYSA-N
MW273.23 g/mol
LogP0.81
Rot. Bonds2

About 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135465188) has the molecular formula C12H8FN5O2 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135465188
Molecular FormulaC12H8FN5O2
Molecular Weight273.23 g/mol
Exact Mass273.07
IUPAC Name2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1F
InChIInChI=1S/C12H8FN5O2/c13-8-4-2-1-3-7(8)11(20)16-9-5-10(19)17-12-14-6-15-18(9)12/h1-6H,(H,16,20)(H,14,15,17,19)
InChIKeyXKXWIEWIXRQRCK-UHFFFAOYSA-N
XLogP0.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 892616
4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 894972
4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 912604
1-Benzoyl-3-(4H-1,2,4-triazol-4-yl)thiourea
CID 3702206
2,4-dichloro-N-(5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400146
2-chloro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135513634
1-[7-(4-Fluorophenyl)-1,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2791019
1-[7-(2-Fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 4085893
N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135465188) is 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is XKXWIEWIXRQRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O2/c13-8-4-2-1-3-7(8)11(20)16-9-5-10(19)17-12-14-6-15-18(9)12/h1-6H,(H,16,20)(H,14,15,17,19).
What are the key properties of 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 273.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135465188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).