3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one

C11H7ClFN5O2 — CID 25139001

IUPAC3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(-c3cc(O)c(Cl)cc3F)nnc21
InChIInChI=1S/C11H7ClFN5O2/c1-17-10-5(4-14-17)11(20)18(16-15-10)8-3-9(19)6(12)2-7(8)13/h2-4,19H,1H3
InChIKeyGURWUMWSABURIU-UHFFFAOYSA-N
MW295.66 g/mol
LogP1.01
Rot. Bonds1

About 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one

3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 25139001) has the molecular formula C11H7ClFN5O2 and a molecular weight of 295.66 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID25139001
Molecular FormulaC11H7ClFN5O2
Molecular Weight295.66 g/mol
Exact Mass295.03
IUPAC Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(-c3cc(O)c(Cl)cc3F)nnc21
InChIInChI=1S/C11H7ClFN5O2/c1-17-10-5(4-14-17)11(20)18(16-15-10)8-3-9(19)6(12)2-7(8)13/h2-4,19H,1H3
InChIKeyGURWUMWSABURIU-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Chloro-4-fluoro-5-(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)phenyl] ethyl carbonate
CID 25138681
3-(4-Chloro-2-fluoro-5-prop-2-ynoxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25138679
3-(4-Chloro-2-fluoro-5-prop-2-enoxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25138680
3-(4-Chloro-2-fluoro-5-prop-2-enoxyphenyl)-7-prop-2-enylpyrazolo[5,4-d]triazin-4-one
CID 25138998
3-(4-Chloro-5-ethoxy-2-fluorophenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139002
3-(4-Chloro-2-fluoro-5-pentoxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139003
3-[4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139004
2-[2-Chloro-4-fluoro-5-(7-methyl-4-oxopyrazolo[5,4-d]triazin-3-yl)phenoxy]acetonitrile
CID 25139156
3-(4-Chloro-2-fluoro-5-prop-2-ynoxyphenyl)-7-prop-2-enylpyrazolo[5,4-d]triazin-4-one
CID 25139307
3-(4-Chloro-2-fluoro-5-methoxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139310
3-(5-Butoxy-4-chloro-2-fluorophenyl)-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139311
3-[4-Chloro-5-(2-chloroprop-2-enoxy)-2-fluorophenyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 25139312

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one (CID 25139001) is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(-c3cc(O)c(Cl)cc3F)nnc21.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is GURWUMWSABURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5O2/c1-17-10-5(4-14-17)11(20)18(16-15-10)8-3-9(19)6(12)2-7(8)13/h2-4,19H,1H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one?
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 295.66 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 25139001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).