2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine

C9H13N5O — CID 103293868

IUPAC2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
SMILESCOCCNCc1nnc2cccnn12
InChIInChI=1S/C9H13N5O/c1-15-6-5-10-7-9-13-12-8-3-2-4-11-14(8)9/h2-4,10H,5-7H2,1H3
InChIKeyGWVQOTDNWWDNGR-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.14
Rot. Bonds5

About 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine

2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine (PubChem CID 103293868) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
PubChem CID103293868
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
SMILESCOCCNCc1nnc2cccnn12
InChIInChI=1S/C9H13N5O/c1-15-6-5-10-7-9-13-12-8-3-2-4-11-14(8)9/h2-4,10H,5-7H2,1H3
InChIKeyGWVQOTDNWWDNGR-UHFFFAOYSA-N
XLogP-0.14
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
CID 79817366
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
CID 103294346
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
3-(2-methoxyethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)morpholine
CID 166308240
N-[[1-(2,2-difluoro-2-phenylethyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 116790158
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 167819063
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79272218
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine (CID 103293868) is 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine is COCCNCc1nnc2cccnn12.
What is the InChIKey of 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The InChIKey is GWVQOTDNWWDNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-6-5-10-7-9-13-12-8-3-2-4-11-14(8)9/h2-4,10H,5-7H2,1H3.
What are the key properties of 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine has a molecular weight of 207.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 103293868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).