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

C12H10FN5O2 — CID 901251

IUPAC(7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2cnnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)15-11(20)9-5-10(19)18-6-14-17-12(18)16-9/h1-4,6,9H,5H2,(H,15,20)(H,16,17)/t9-/m1/s1
InChIKeyZEOXIFDXVDJUNA-SECBINFHSA-N
MW275.24 g/mol
LogP0.88
Rot. Bonds2

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

(7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide (PubChem CID 901251) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
PubChem CID901251
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC Name(7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2cnnc2N1
InChIInChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)15-11(20)9-5-10(19)18-6-14-17-12(18)16-9/h1-4,6,9H,5H2,(H,15,20)(H,16,17)/t9-/m1/s1
InChIKeyZEOXIFDXVDJUNA-SECBINFHSA-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 (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide?
The IUPAC name of (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide (CID 901251) is (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2cnnc2N1.
What is the InChIKey of (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide?
The InChIKey is ZEOXIFDXVDJUNA-SECBINFHSA-N. The full InChI is InChI=1S/C12H10FN5O2/c13-7-1-3-8(4-2-7)15-11(20)9-5-10(19)18-6-14-17-12(18)16-9/h1-4,6,9H,5H2,(H,15,20)(H,16,17)/t9-/m1/s1.
What are the key properties of (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide?
(7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-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 (7R)-N-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 901251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).