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

C22H17N5O — CID 11314613

IUPAC10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12
InChIInChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3
InChIKeyNURMFSYNABAOFU-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.23
Rot. Bonds4

About 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11314613) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11314613
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12
InChIInChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3
InChIKeyNURMFSYNABAOFU-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 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 11314613) is 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is Cc1cccc2c(OCc3ccccn3)nn3c(-c4ccccc4)nnc3c12.
What is the InChIKey of 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is NURMFSYNABAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3.
What are the key properties of 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
10-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 10-methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11314613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).