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

C18H15N5O — CID 11392954

IUPAC3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1
InChIInChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2
InChIKeyDZPQKPSHACGLKC-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.13
Rot. Bonds4

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

3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11392954) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11392954
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESc1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1
InChIInChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2
InChIKeyDZPQKPSHACGLKC-UHFFFAOYSA-N
XLogP3.13
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 11392954) is 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1.
What is the InChIKey of 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is DZPQKPSHACGLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2.
What are the key properties of 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 317.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11392954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).