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

C23H18N4O2 — CID 11372475

IUPAC3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1
InChIInChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyKRDSLYOCDNHTQW-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.53
Rot. Bonds5

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

3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11372475) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11372475
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCOc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1
InChIInChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyKRDSLYOCDNHTQW-UHFFFAOYSA-N
XLogP4.53
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine (CID 11372475) is 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine is COc1ccc(-c2nnc3c4ccccc4c(OCc4ccccc4)nn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is KRDSLYOCDNHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-28-18-13-11-17(12-14-18)21-24-25-22-19-9-5-6-10-20(19)23(26-27(21)22)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine?
3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 382.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-phenylmethoxy-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11372475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).