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

C18H14FN5O2 — CID 3245836

IUPAC6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCOc1cccc(-n2nnc3c(=O)n(Cc4ccccc4F)cnc32)c1
InChIInChI=1S/C18H14FN5O2/c1-26-14-7-4-6-13(9-14)24-17-16(21-22-24)18(25)23(11-20-17)10-12-5-2-3-8-15(12)19/h2-9,11H,10H2,1H3
InChIKeyUOVXYDKZYGNNEE-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.17
Rot. Bonds4

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

6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 3245836) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID3245836
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCOc1cccc(-n2nnc3c(=O)n(Cc4ccccc4F)cnc32)c1
InChIInChI=1S/C18H14FN5O2/c1-26-14-7-4-6-13(9-14)24-17-16(21-22-24)18(25)23(11-20-17)10-12-5-2-3-8-15(12)19/h2-9,11H,10H2,1H3
InChIKeyUOVXYDKZYGNNEE-UHFFFAOYSA-N
XLogP2.17
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one (CID 3245836) is 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4F)cnc32)c1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is UOVXYDKZYGNNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-26-14-7-4-6-13(9-14)24-17-16(21-22-24)18(25)23(11-20-17)10-12-5-2-3-8-15(12)19/h2-9,11H,10H2,1H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 351.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 3245836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).