3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

C17H11ClFN5O — CID 1444510

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFN5O/c18-14-7-4-8-15(19)13(14)10-23-17(25)12-9-20-24(16(12)21-22-23)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyRJXWZALFKUGZIP-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.82
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 1444510) has the molecular formula C17H11ClFN5O and a molecular weight of 355.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID1444510
Molecular FormulaC17H11ClFN5O
Molecular Weight355.76 g/mol
Exact Mass355.06
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H11ClFN5O/c18-14-7-4-8-15(19)13(14)10-23-17(25)12-9-20-24(16(12)21-22-23)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyRJXWZALFKUGZIP-UHFFFAOYSA-N
XLogP2.82
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 1444510) is 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is O=c1c2cnn(-c3ccccc3)c2nnn1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is RJXWZALFKUGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O/c18-14-7-4-8-15(19)13(14)10-23-17(25)12-9-20-24(16(12)21-22-23)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 355.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 1444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).