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

C17H24N6 — CID 126921642

IUPAC1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1
InChIInChI=1S/C17H24N6/c1-11(13-2-3-13)18-8-12-9-22(10-12)16-7-6-15-19-20-17(14-4-5-14)23(15)21-16/h6-7,11-14,18H,2-5,8-10H2,1H3
InChIKeyFSYIHAJKOQPILR-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.83
Rot. Bonds6

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

1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine (PubChem CID 126921642) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
PubChem CID126921642
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1
InChIInChI=1S/C17H24N6/c1-11(13-2-3-13)18-8-12-9-22(10-12)16-7-6-15-19-20-17(14-4-5-14)23(15)21-16/h6-7,11-14,18H,2-5,8-10H2,1H3
InChIKeyFSYIHAJKOQPILR-UHFFFAOYSA-N
XLogP1.83
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-cyclopropylethanamine
CID 126922055
1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 126921649
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126921588
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]oxetan-3-amine
CID 126922094
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126922071
2-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]cyclohexan-1-ol
CID 126922083
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidin-4-amine
CID 126922070
N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 126921587
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 126922061
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 126922056
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine (CID 126921642) is 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine is CC(NCC1CN(c2ccc3nnc(C4CC4)n3n2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine?
The InChIKey is FSYIHAJKOQPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-11(13-2-3-13)18-8-12-9-22(10-12)16-7-6-15-19-20-17(14-4-5-14)23(15)21-16/h6-7,11-14,18H,2-5,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine?
1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine has a molecular weight of 312.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 126921642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).