3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one

C13H13N5O — CID 71038728

IUPAC3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(-c2ccncc2)nc2cnn(C)c(=O)c21
InChIInChI=1S/C13H13N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4-8H,3H2,1-2H3
InChIKeyCYQPHVUHYNWMHW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.21
Rot. Bonds2

About 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one

3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one (PubChem CID 71038728) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one
PubChem CID71038728
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(-c2ccncc2)nc2cnn(C)c(=O)c21
InChIInChI=1S/C13H13N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4-8H,3H2,1-2H3
InChIKeyCYQPHVUHYNWMHW-UHFFFAOYSA-N
XLogP1.21
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one (CID 71038728) is 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one is CCn1c(-c2ccncc2)nc2cnn(C)c(=O)c21.
What is the InChIKey of 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one?
The InChIKey is CYQPHVUHYNWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one?
3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-pyridin-4-ylimidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71038728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).