3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one

C13H17N5O — CID 71038729

IUPAC3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(C2=CCNCC2)nc2cnn(C)c(=O)c21
InChIInChI=1S/C13H17N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4,8,14H,3,5-7H2,1-2H3
InChIKeyITATZJKNMIDTOI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.53
Rot. Bonds2

About 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one

3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one (PubChem CID 71038729) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one
PubChem CID71038729
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(C2=CCNCC2)nc2cnn(C)c(=O)c21
InChIInChI=1S/C13H17N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4,8,14H,3,5-7H2,1-2H3
InChIKeyITATZJKNMIDTOI-UHFFFAOYSA-N
XLogP0.53
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one (CID 71038729) is 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one is CCn1c(C2=CCNCC2)nc2cnn(C)c(=O)c21.
What is the InChIKey of 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one?
The InChIKey is ITATZJKNMIDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-11-10(8-15-17(2)13(11)19)16-12(18)9-4-6-14-7-5-9/h4,8,14H,3,5-7H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one?
3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71038729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).