7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one

C18H14FN5O2 — CID 1444398

IUPAC7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H14FN5O2/c1-26-15-4-2-3-12(9-15)11-23-18(25)16-10-20-24(17(16)21-22-23)14-7-5-13(19)6-8-14/h2-10H,11H2,1H3
InChIKeyOOQGELKPXWPZGQ-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.17
Rot. Bonds4

About 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one

7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one (PubChem CID 1444398) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
PubChem CID1444398
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H14FN5O2/c1-26-15-4-2-3-12(9-15)11-23-18(25)16-10-20-24(17(16)21-22-23)14-7-5-13(19)6-8-14/h2-10H,11H2,1H3
InChIKeyOOQGELKPXWPZGQ-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 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one (CID 1444398) is 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one is COc1cccc(Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
The InChIKey is OOQGELKPXWPZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-26-15-4-2-3-12(9-15)11-23-18(25)16-10-20-24(17(16)21-22-23)14-7-5-13(19)6-8-14/h2-10H,11H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one?
7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-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 7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 1444398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).