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

C12H18N6O — CID 66281450

IUPAC6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN1CCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c1-2-17-7-3-4-9(17)8-13-10-5-6-11-14-15-12(19)18(11)16-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,16)(H,15,19)
InChIKeyVWLIDSOUVYNSLN-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.31
Rot. Bonds4

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

6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281450) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281450
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN1CCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c1-2-17-7-3-4-9(17)8-13-10-5-6-11-14-15-12(19)18(11)16-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,16)(H,15,19)
InChIKeyVWLIDSOUVYNSLN-UHFFFAOYSA-N
XLogP0.31
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281450) is 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCN1CCCC1CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is VWLIDSOUVYNSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-17-7-3-4-9(17)8-13-10-5-6-11-14-15-12(19)18(11)16-10/h5-6,9H,2-4,7-8H2,1H3,(H,13,16)(H,15,19).
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).