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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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444510
7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444398
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444323
N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
CID 1444490
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
CID 6487805
1-[(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 71970976
3-[(3-amino-2-fluorophenyl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 107347731
3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444505
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9461880

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).