5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H14FN5O2 — CID 51352642

IUPAC5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COCc2cccnc2F)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H14FN5O2/c19-16-13(7-4-8-20-16)10-26-11-14-9-15(25)24-18(21-14)22-17(23-24)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,22,23)
InChIKeyOGMBNWJDKLERPW-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.34
Rot. Bonds5

About 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 51352642) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID51352642
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COCc2cccnc2F)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C18H14FN5O2/c19-16-13(7-4-8-20-16)10-26-11-14-9-15(25)24-18(21-14)22-17(23-24)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,22,23)
InChIKeyOGMBNWJDKLERPW-UHFFFAOYSA-N
XLogP2.34
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 51352642) is 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(COCc2cccnc2F)nc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OGMBNWJDKLERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-16-13(7-4-8-20-16)10-26-11-14-9-15(25)24-18(21-14)22-17(23-24)12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,22,23).
What are the key properties of 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-pyridinyl)methoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51352642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).