N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide

C12H10FN5O2 — CID 135658700

IUPACN-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2F)n2cnnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-3-1-2-4-8(7)15-11(20)9-5-10(19)16-12-17-14-6-18(9)12/h1-4,6,9H,5H2,(H,15,20)(H,16,17,19)
InChIKeyPDMZHBVLUGSTCG-UHFFFAOYSA-N
MW275.24 g/mol
LogP0.94
Rot. Bonds2

About N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide

N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide (PubChem CID 135658700) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
PubChem CID135658700
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC NameN-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2F)n2cnnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-3-1-2-4-8(7)15-11(20)9-5-10(19)16-12-17-14-6-18(9)12/h1-4,6,9H,5H2,(H,15,20)(H,16,17,19)
InChIKeyPDMZHBVLUGSTCG-UHFFFAOYSA-N
XLogP0.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135830412
N-(4-methoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135632873
(7S)-N-(2-fluorophenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902628
(7R)-2-methyl-N-(2-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783474
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
N-(2-methoxyphenyl)-5-oxo-2-(trifluoromethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4904884
(4S)-N-(2-fluorophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41066059
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
N-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2981207
(7R)-5-oxo-N-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 136892896
(5S)-N-(2-fluorophenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884865
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide (CID 135658700) is N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide is O=C1CC(C(=O)Nc2ccccc2F)n2cnnc2N1.
What is the InChIKey of N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
The InChIKey is PDMZHBVLUGSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2/c13-7-3-1-2-4-8(7)15-11(20)9-5-10(19)16-12-17-14-6-18(9)12/h1-4,6,9H,5H2,(H,15,20)(H,16,17,19).
What are the key properties of N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 135658700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).