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

C18H14ClN5O2 — CID 167961975

IUPAC3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1Cl
InChIInChI=1S/C18H14ClN5O2/c1-26-15-9-5-6-12(16(15)19)11-23-18(25)14-10-20-24(17(14)21-22-23)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGQHPGSLSRAHQMK-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.69
Rot. Bonds4

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

3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 167961975) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID167961975
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1Cl
InChIInChI=1S/C18H14ClN5O2/c1-26-15-9-5-6-12(16(15)19)11-23-18(25)14-10-20-24(17(14)21-22-23)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyGQHPGSLSRAHQMK-UHFFFAOYSA-N
XLogP2.69
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 167961975) is 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is COc1cccc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is GQHPGSLSRAHQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-26-15-9-5-6-12(16(15)19)11-23-18(25)14-10-20-24(17(14)21-22-23)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 367.80 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 167961975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).