3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C17H14N4O — CID 938212

IUPAC3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1
InChIInChI=1S/C17H14N4O/c1-11-14-5-3-4-6-15(14)17-19-18-16(21(17)20-11)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3
InChIKeyJGYWMWQPWWEUGL-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.26
Rot. Bonds2

About 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 938212) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID938212
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1
InChIInChI=1S/C17H14N4O/c1-11-14-5-3-4-6-15(14)17-19-18-16(21(17)20-11)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3
InChIKeyJGYWMWQPWWEUGL-UHFFFAOYSA-N
XLogP3.26
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 938212) is 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is JGYWMWQPWWEUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-14-5-3-4-6-15(14)17-19-18-16(21(17)20-11)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 290.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 938212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).