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

C12H10FN5O2 — CID 4886256

IUPACN-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)16-11(20)9-5-10(19)18-12(17-9)14-6-15-18/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17)
InChIKeyISSOIMRIVCOSBQ-UHFFFAOYSA-N
MW275.24 g/mol
LogP0.88
Rot. Bonds2

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

N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 4886256) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID4886256
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CC(=O)n2ncnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)16-11(20)9-5-10(19)18-12(17-9)14-6-15-18/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17)
InChIKeyISSOIMRIVCOSBQ-UHFFFAOYSA-N
XLogP0.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 4886256) is N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1)C1CC(=O)n2ncnc2N1.
What is the InChIKey of N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ISSOIMRIVCOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)16-11(20)9-5-10(19)18-12(17-9)14-6-15-18/h1-4,6,9H,5H2,(H,16,20)(H,14,15,17).
What are the key properties of N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 275.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 4886256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).