6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

C22H17N5O — CID 11462750

IUPAC6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)n1
InChIInChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyVXVLSQVFRWSMKF-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.23
Rot. Bonds4

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

6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11462750) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11462750
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)n1
InChIInChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyVXVLSQVFRWSMKF-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 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 11462750) is 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)n1.
What is the InChIKey of 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is VXVLSQVFRWSMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3.
What are the key properties of 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine?
6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[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 6-[(6-methyl-2-pyridinyl)methoxy]-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11462750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).