6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H16N6O — CID 113282677

IUPAC6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCNCC(C)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-7(5-11-2)6-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,15)(H,14,17)
InChIKeyHZDWZGYJXAMUPA-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.31
Rot. Bonds5

About 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 113282677) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID113282677
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCNCC(C)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-7(5-11-2)6-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,15)(H,14,17)
InChIKeyHZDWZGYJXAMUPA-UHFFFAOYSA-N
XLogP-0.31
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283629
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-(3,3-dimethylbutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113457873
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449
6-(4-methylpentan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283010
5-methyl-7-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282680
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
N,2-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]propane-1,3-diamine
CID 106950639
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 103755915
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 113282677) is 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CNCC(C)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HZDWZGYJXAMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-7(5-11-2)6-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,15)(H,14,17).
What are the key properties of 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 113282677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).