2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one

C13H11N5O — CID 175869855

IUPAC2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCCc1ncc2cn(-c3ccnnc3)c(=O)cc2n1
InChIInChI=1S/C13H11N5O/c1-2-12-14-6-9-8-18(10-3-4-15-16-7-10)13(19)5-11(9)17-12/h3-8H,2H2,1H3
InChIKeyONQHIOGYCBCODB-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.13
Rot. Bonds2

About 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one

2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 175869855) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID175869855
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC Name2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one
SMILESCCc1ncc2cn(-c3ccnnc3)c(=O)cc2n1
InChIInChI=1S/C13H11N5O/c1-2-12-14-6-9-8-18(10-3-4-15-16-7-10)13(19)5-11(9)17-12/h3-8H,2H2,1H3
InChIKeyONQHIOGYCBCODB-UHFFFAOYSA-N
XLogP1.13
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one (CID 175869855) is 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one is CCc1ncc2cn(-c3ccnnc3)c(=O)cc2n1.
What is the InChIKey of 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is ONQHIOGYCBCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-2-12-14-6-9-8-18(10-3-4-15-16-7-10)13(19)5-11(9)17-12/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one?
2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 253.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-pyridazin-4-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 175869855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).