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

C16H11FN6O — CID 7162115

IUPAC3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1cccnc1
InChIInChI=1S/C16H11FN6O/c17-12-4-1-5-13(7-12)23-15-14(20-21-23)16(24)22(10-19-15)9-11-3-2-6-18-8-11/h1-8,10H,9H2
InChIKeyVYPKVACBNNLRAS-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.56
Rot. Bonds3

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

3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 7162115) has the molecular formula C16H11FN6O and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID7162115
Molecular FormulaC16H11FN6O
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Name3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1cccnc1
InChIInChI=1S/C16H11FN6O/c17-12-4-1-5-13(7-12)23-15-14(20-21-23)16(24)22(10-19-15)9-11-3-2-6-18-8-11/h1-8,10H,9H2
InChIKeyVYPKVACBNNLRAS-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-(3-Fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162117
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
3-benzyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 672604
3-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53391877
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482432
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
CID 53482435
3-[(4-Fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one
CID 3238959
3-[(2-Fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-D]pyrimidin-7-one
CID 3239357
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
7-phenyl-3-[(3-pyridinylmethylene)amino]-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 6877168

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one (CID 7162115) is 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1cccnc1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VYPKVACBNNLRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O/c17-12-4-1-5-13(7-12)23-15-14(20-21-23)16(24)22(10-19-15)9-11-3-2-6-18-8-11/h1-8,10H,9H2.
What are the key properties of 3-(3-fluorophenyl)-6-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one?
3-(3-fluorophenyl)-6-(pyridin-3-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-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 7162115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).