6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C9H13N5O — CID 170987124

IUPAC6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCCCOc1ccc2nnc(N)n2n1
InChIInChI=1S/C9H13N5O/c1-2-3-6-15-8-5-4-7-11-12-9(10)14(7)13-8/h4-5H,2-3,6H2,1H3,(H2,10,12)
InChIKeyOBVKVVGBEDZYER-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.89
Rot. Bonds4

About 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 170987124) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID170987124
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCCCOc1ccc2nnc(N)n2n1
InChIInChI=1S/C9H13N5O/c1-2-3-6-15-8-5-4-7-11-12-9(10)14(7)13-8/h4-5H,2-3,6H2,1H3,(H2,10,12)
InChIKeyOBVKVVGBEDZYER-UHFFFAOYSA-N
XLogP0.89
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.89
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

6-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136899
6-(2-butoxyethoxy)pyridin-3-amine
CID 3031377
6-hexoxypyridazin-3-amine
CID 11959089
3-(3-bromoimidazo[1,2-b]pyridazin-6-yl)oxy-N,N-diethylpropan-1-amine
CID 24850169
6-butoxypyridine-3-carboxamide
CID 506622
2-(3-bromoimidazo[1,2-b]pyridazin-6-yl)oxyethanamine
CID 130394817
2,6-dibutoxypyridine
CID 67437244
3-butoxypyridazin-4-amine
CID 86147156
3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine
CID 143077914
(2-butoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 112756898
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687
N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]methanesulfonamide
CID 42109897

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 170987124) is 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCCCOc1ccc2nnc(N)n2n1.
What is the InChIKey of 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is OBVKVVGBEDZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-3-6-15-8-5-4-7-11-12-9(10)14(7)13-8/h4-5H,2-3,6H2,1H3,(H2,10,12).
What are the key properties of 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 207.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 170987124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).