8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

C22H17N5O — CID 11176067

IUPAC8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21
InChIInChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyVJMXGRAYTDRKAO-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.23
Rot. Bonds4

About 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11176067) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11176067
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21
InChIInChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyVJMXGRAYTDRKAO-UHFFFAOYSA-N
XLogP4.23
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 11176067) is 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1ccc2c(c1)c(OCc1ccccn1)nn1c(-c3ccccc3)nnc21.
What is the InChIKey of 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is VJMXGRAYTDRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 367.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11176067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).