3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one

C13H23N3O — CID 58298378

IUPAC3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one
SMILESC=C1CC(NC)C(=O)N2C(C(C)C)CCCN12
InChIInChI=1S/C13H23N3O/c1-9(2)12-6-5-7-15-10(3)8-11(14-4)13(17)16(12)15/h9,11-12,14H,3,5-8H2,1-2,4H3
InChIKeyNOIUACIPYFIBHE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.36
Rot. Bonds2

About 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one

3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one (PubChem CID 58298378) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one.

Molecular Properties

Compound Name3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one
PubChem CID58298378
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one
SMILESC=C1CC(NC)C(=O)N2C(C(C)C)CCCN12
InChIInChI=1S/C13H23N3O/c1-9(2)12-6-5-7-15-10(3)8-11(14-4)13(17)16(12)15/h9,11-12,14H,3,5-8H2,1-2,4H3
InChIKeyNOIUACIPYFIBHE-UHFFFAOYSA-N
XLogP1.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one?
The IUPAC name of 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one (CID 58298378) is 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one.
What is the SMILES notation for 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one?
The canonical SMILES for 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one is C=C1CC(NC)C(=O)N2C(C(C)C)CCCN12.
What is the InChIKey of 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one?
The InChIKey is NOIUACIPYFIBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12-6-5-7-15-10(3)8-11(14-4)13(17)16(12)15/h9,11-12,14H,3,5-8H2,1-2,4H3.
What are the key properties of 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one?
3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-methylidene-6-propan-2-yl-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazin-4-one is sourced from PubChem (CID 58298378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).