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

C19H17N5O — CID 11232809

IUPAC3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3
InChIKeyOBPPXGLDCMXNDT-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.44
Rot. Bonds4

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

3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11232809) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11232809
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1
InChIInChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3
InChIKeyOBPPXGLDCMXNDT-UHFFFAOYSA-N
XLogP3.44
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine (CID 11232809) is 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine is Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1.
What is the InChIKey of 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is OBPPXGLDCMXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3.
What are the key properties of 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine?
3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 331.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11232809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).