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

C11H15N5O — CID 113255968

IUPAC6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC1(CNc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H15N5O/c1-2-11(5-6-11)7-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4H,2,5-7H2,1H3,(H,12,15)(H,14,17)
InChIKeyWMMMXECVVPBCNZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.02
Rot. Bonds4

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

6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 113255968) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID113255968
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC1(CNc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H15N5O/c1-2-11(5-6-11)7-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4H,2,5-7H2,1H3,(H,12,15)(H,14,17)
InChIKeyWMMMXECVVPBCNZ-UHFFFAOYSA-N
XLogP1.02
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 115360732
6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103970479
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106102384
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-[[2-(chloromethyl)-2-ethylbutyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114164358
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281662
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113282677

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 113255968) is 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCC1(CNc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WMMMXECVVPBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-11(5-6-11)7-12-8-3-4-9-13-14-10(17)16(9)15-8/h3-4H,2,5-7H2,1H3,(H,12,15)(H,14,17).
What are the key properties of 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 233.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 113255968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).