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

C15H21N7O — CID 126920697

IUPAC5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
SMILESCN(CC1CCC(=O)NC1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O/c1-20(7-11-2-5-15(23)16-6-11)12-8-21(9-12)14-4-3-13-18-17-10-22(13)19-14/h3-4,10-12H,2,5-9H2,1H3,(H,16,23)
InChIKeyHASZQGIJZLIIAX-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.23
Rot. Bonds4

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

5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one (PubChem CID 126920697) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
PubChem CID126920697
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
SMILESCN(CC1CCC(=O)NC1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O/c1-20(7-11-2-5-15(23)16-6-11)12-8-21(9-12)14-4-3-13-18-17-10-22(13)19-14/h3-4,10-12H,2,5-9H2,1H3,(H,16,23)
InChIKeyHASZQGIJZLIIAX-UHFFFAOYSA-N
XLogP-0.23
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
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-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920630
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
N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920664
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
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-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one?
The IUPAC name of 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one (CID 126920697) is 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one?
The canonical SMILES for 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one is CN(CC1CCC(=O)NC1)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one?
The InChIKey is HASZQGIJZLIIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-20(7-11-2-5-15(23)16-6-11)12-8-21(9-12)14-4-3-13-18-17-10-22(13)19-14/h3-4,10-12H,2,5-9H2,1H3,(H,16,23).
What are the key properties of 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one?
5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one has a molecular weight of 315.38 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 126920697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).