N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine

C13H18N6S — CID 126920310

IUPACN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
SMILESc1cc2nncn2nc1N1CC(CNC2CCSC2)C1
InChIInChI=1S/C13H18N6S/c1-2-13(17-19-9-15-16-12(1)19)18-6-10(7-18)5-14-11-3-4-20-8-11/h1-2,9-11,14H,3-8H2
InChIKeyUSAGJZDRSIQYFY-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.66
Rot. Bonds4

About N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine (PubChem CID 126920310) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
PubChem CID126920310
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
SMILESc1cc2nncn2nc1N1CC(CNC2CCSC2)C1
InChIInChI=1S/C13H18N6S/c1-2-13(17-19-9-15-16-12(1)19)18-6-10(7-18)5-14-11-3-4-20-8-11/h1-2,9-11,14H,3-8H2
InChIKeyUSAGJZDRSIQYFY-UHFFFAOYSA-N
XLogP0.66
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thian-4-amine
CID 126922606
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920247
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
CID 126920272
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126920280
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920305
4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
CID 126920285
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920306
3-[[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126920303
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786

Frequently Asked Questions

What is the IUPAC name of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine?
The IUPAC name of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine (CID 126920310) is N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine is c1cc2nncn2nc1N1CC(CNC2CCSC2)C1.
What is the InChIKey of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine?
The InChIKey is USAGJZDRSIQYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-2-13(17-19-9-15-16-12(1)19)18-6-10(7-18)5-14-11-3-4-20-8-11/h1-2,9-11,14H,3-8H2.
What are the key properties of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine?
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine has a molecular weight of 290.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 126920310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).