1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one

C15H21N7O — CID 126920686

IUPAC1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(CC1CCC(=O)N1C)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O/c1-19(7-11-3-6-15(23)20(11)2)12-8-21(9-12)14-5-4-13-17-16-10-22(13)18-14/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyCJXDBSVNNGQGDH-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.13
Rot. Bonds4

About 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one

1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 126920686) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
PubChem CID126920686
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(CC1CCC(=O)N1C)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O/c1-19(7-11-3-6-15(23)20(11)2)12-8-21(9-12)14-5-4-13-17-16-10-22(13)18-14/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyCJXDBSVNNGQGDH-UHFFFAOYSA-N
XLogP-0.13
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 126922963
5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
CID 126920697
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpiperidin-2-one
CID 126921814
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one
CID 126920682
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
N-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920640
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 126856976
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920637
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one (CID 126920686) is 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one is CN(CC1CCC(=O)N1C)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is CJXDBSVNNGQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-19(7-11-3-6-15(23)20(11)2)12-8-21(9-12)14-5-4-13-17-16-10-22(13)18-14/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one?
1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 315.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126920686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).