6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H18N6O2 — CID 66284224

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(C)CC1CC(O)CN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O2/c1-16(2)6-8-5-9(19)7-17(8)11-4-3-10-13-14-12(20)18(10)15-11/h3-4,8-9,19H,5-7H2,1-2H3,(H,14,20)
InChIKeyKJJSGPSCFAERAX-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.08
Rot. Bonds3

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284224) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284224
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(C)CC1CC(O)CN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O2/c1-16(2)6-8-5-9(19)7-17(8)11-4-3-10-13-14-12(20)18(10)15-11/h3-4,8-9,19H,5-7H2,1-2H3,(H,14,20)
InChIKeyKJJSGPSCFAERAX-UHFFFAOYSA-N
XLogP-1.08
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(3-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281685
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282466
6-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282853
6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283241
6-(3-hydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283242
6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283630
7-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283707
7-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284164
6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102636048
6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103755937
6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103755938
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106621154

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284224) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CN(C)CC1CC(O)CN1c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is KJJSGPSCFAERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-16(2)6-8-5-9(19)7-17(8)11-4-3-10-13-14-12(20)18(10)15-11/h3-4,8-9,19H,5-7H2,1-2H3,(H,14,20).
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 278.32 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).