7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one

C14H11FN6O — CID 122703276

IUPAC7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ncc(C3=CC(=O)N4CC(F)=CC=C4N3)cn2n1
InChIInChI=1S/C14H11FN6O/c1-8-17-14-16-5-9(6-21(14)19-8)11-4-13(22)20-7-10(15)2-3-12(20)18-11/h2-6,18H,7H2,1H3
InChIKeyDCOKIMVUVJUCIE-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.91
Rot. Bonds1

About 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 122703276) has the molecular formula C14H11FN6O and a molecular weight of 298.28 g/mol. Its IUPAC name is 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID122703276
Molecular FormulaC14H11FN6O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ncc(C3=CC(=O)N4CC(F)=CC=C4N3)cn2n1
InChIInChI=1S/C14H11FN6O/c1-8-17-14-16-5-9(6-21(14)19-8)11-4-13(22)20-7-10(15)2-3-12(20)18-11/h2-6,18H,7H2,1H3
InChIKeyDCOKIMVUVJUCIE-UHFFFAOYSA-N
XLogP0.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one (CID 122703276) is 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2ncc(C3=CC(=O)N4CC(F)=CC=C4N3)cn2n1.
What is the InChIKey of 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DCOKIMVUVJUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O/c1-8-17-14-16-5-9(6-21(14)19-8)11-4-13(22)20-7-10(15)2-3-12(20)18-11/h2-6,18H,7H2,1H3.
What are the key properties of 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.28 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,6-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122703276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).