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

C18H26N6O — CID 126922324

IUPAC1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
SMILESCN(CC1CCCO1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C18H26N6O/c1-22(12-15-6-3-9-25-15)14-10-23(11-14)17-8-7-16-19-20-18(24(16)21-17)13-4-2-5-13/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeyXMSPCZBGTSKPMJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.69
Rot. Bonds5

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

1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine (PubChem CID 126922324) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
PubChem CID126922324
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
SMILESCN(CC1CCCO1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
InChIInChI=1S/C18H26N6O/c1-22(12-15-6-3-9-25-15)14-10-23(11-14)17-8-7-16-19-20-18(24(16)21-17)13-4-2-5-13/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeyXMSPCZBGTSKPMJ-UHFFFAOYSA-N
XLogP1.69
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine (CID 126922324) is 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine is CN(CC1CCCO1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.
What is the InChIKey of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine?
The InChIKey is XMSPCZBGTSKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22(12-15-6-3-9-25-15)14-10-23(11-14)17-8-7-16-19-20-18(24(16)21-17)13-4-2-5-13/h7-8,13-15H,2-6,9-12H2,1H3.
What are the key properties of 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine?
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine has a molecular weight of 342.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126922324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).