4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one

C13H10N4O — CID 10799933

IUPAC4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(Cc2ccncc2)c2cnccc12
InChIInChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18)
InChIKeyOCGINFQZBOVZBZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.30
Rot. Bonds2

About 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one

4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 10799933) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID10799933
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]nc(Cc2ccncc2)c2cnccc12
InChIInChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18)
InChIKeyOCGINFQZBOVZBZ-UHFFFAOYSA-N
XLogP1.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one (CID 10799933) is 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]nc(Cc2ccncc2)c2cnccc12.
What is the InChIKey of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is OCGINFQZBOVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-10-3-6-15-8-11(10)12(16-17-13)7-9-1-4-14-5-2-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one?
4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 10799933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).