N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide

C13H8F2N6O2 — CID 86818699

IUPACN-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1[nH]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H8F2N6O2/c14-7-1-3-8(4-2-7)21-17-6-10(20-21)12(22)18-11-9(15)5-16-13(23)19-11/h1-6H,(H2,16,18,19,22,23)
InChIKeyZHZKEFQFWUZRMQ-UHFFFAOYSA-N
MW318.24 g/mol
LogP0.88
Rot. Bonds3

About N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide

N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 86818699) has the molecular formula C13H8F2N6O2 and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID86818699
Molecular FormulaC13H8F2N6O2
Molecular Weight318.24 g/mol
Exact Mass318.07
IUPAC NameN-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1[nH]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H8F2N6O2/c14-7-1-3-8(4-2-7)21-17-6-10(20-21)12(22)18-11-9(15)5-16-13(23)19-11/h1-6H,(H2,16,18,19,22,23)
InChIKeyZHZKEFQFWUZRMQ-UHFFFAOYSA-N
XLogP0.88
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
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-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide (CID 86818699) is N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide is O=C(Nc1[nH]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is ZHZKEFQFWUZRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N6O2/c14-7-1-3-8(4-2-7)21-17-6-10(20-21)12(22)18-11-9(15)5-16-13(23)19-11/h1-6H,(H2,16,18,19,22,23).
What are the key properties of N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 86818699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).