N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H8FN5O — CID 44824572

IUPACN-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc2ncccn2n1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-4-9(7-8)15-11(19)10-16-12-14-5-2-6-18(12)17-10/h1-7H,(H,15,19)
InChIKeyUGOKMHMDPDAGBU-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.52
Rot. Bonds2

About N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824572) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824572
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC NameN-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc2ncccn2n1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-4-9(7-8)15-11(19)10-16-12-14-5-2-6-18(12)17-10/h1-7H,(H,15,19)
InChIKeyUGOKMHMDPDAGBU-UHFFFAOYSA-N
XLogP1.52
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583672
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
N-(2-bromo-4,6-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824610
N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169262
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169203
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824572) is N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc(F)c1)c1nc2ncccn2n1.
What is the InChIKey of N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UGOKMHMDPDAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-8-3-1-4-9(7-8)15-11(19)10-16-12-14-5-2-6-18(12)17-10/h1-7H,(H,15,19).
What are the key properties of N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 257.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).