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

C23H18N4O — CID 1291932

IUPAC6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nn3c(-c4ccccc4C)nnc3c3ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-15-7-3-4-8-18(15)22-24-25-23-20-10-6-5-9-19(20)21(26-27(22)23)16-11-13-17(28-2)14-12-16/h3-14H,1-2H3
InChIKeyJWROPMKSEKMICN-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.93
Rot. Bonds3

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

6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 1291932) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID1291932
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nn3c(-c4ccccc4C)nnc3c3ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-15-7-3-4-8-18(15)22-24-25-23-20-10-6-5-9-19(20)21(26-27(22)23)16-11-13-17(28-2)14-12-16/h3-14H,1-2H3
InChIKeyJWROPMKSEKMICN-UHFFFAOYSA-N
XLogP4.93
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine (CID 1291932) is 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nn3c(-c4ccccc4C)nnc3c3ccccc23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is JWROPMKSEKMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-7-3-4-8-18(15)22-24-25-23-20-10-6-5-9-19(20)21(26-27(22)23)16-11-13-17(28-2)14-12-16/h3-14H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine?
6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 366.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(2-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 1291932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).