3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one

C16H11FN6O — CID 7162117

IUPAC3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccccn1
InChIInChI=1S/C16H11FN6O/c17-11-4-3-6-13(8-11)23-15-14(20-21-23)16(24)22(10-19-15)9-12-5-1-2-7-18-12/h1-8,10H,9H2
InChIKeyURRZGGAGQGOEHV-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.56
Rot. Bonds3

About 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one

3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 7162117) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID7162117
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccccn1
InChIInChI=1S/C16H11FN6O/c17-11-4-3-6-13(8-11)23-15-14(20-21-23)16(24)22(10-19-15)9-12-5-1-2-7-18-12/h1-8,10H,9H2
InChIKeyURRZGGAGQGOEHV-UHFFFAOYSA-N
XLogP1.56
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-Chlorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162118
3-(3,4-Dimethylphenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162124
2-[3-(4-fluorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869586
N-(4-(1H-tetrazol-1-yl)phenyl)-5-methylpyrazine-2-carboxamide
CID 649768
1-Phenyl-5-[(pyridin-2-YL)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3239866
5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3240831
5-(pyridin-4-yl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 135535891
3-(4-Bromophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162120
1-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 3155626
(4-ethylpiperazino)[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
CID 16021918
(4-Ethylpiperazin-1-yl)-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 16022058
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25162431

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (CID 7162117) is 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccccn1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is URRZGGAGQGOEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-11-4-3-6-13(8-11)23-15-14(20-21-23)16(24)22(10-19-15)9-12-5-1-2-7-18-12/h1-8,10H,9H2.
What are the key properties of 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 322.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 7162117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).