6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C11H17N5O — CID 66941020

IUPAC6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(C)Oc1nn2c(N)nnc2c(C)c1C
InChIInChI=1S/C11H17N5O/c1-5-6(2)17-10-8(4)7(3)9-13-14-11(12)16(9)15-10/h6H,5H2,1-4H3,(H2,12,14)
InChIKeyQQEPPBBSXRGVTG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.50
Rot. Bonds3

About 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 66941020) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID66941020
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(C)Oc1nn2c(N)nnc2c(C)c1C
InChIInChI=1S/C11H17N5O/c1-5-6(2)17-10-8(4)7(3)9-13-14-11(12)16(9)15-10/h6H,5H2,1-4H3,(H2,12,14)
InChIKeyQQEPPBBSXRGVTG-UHFFFAOYSA-N
XLogP1.50
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136952
8-methyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58045902
7,8-dimethyl-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136894
3-butan-2-yloxy-1-methylpyrazol-4-amine
CID 103079130
7-ethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 58136970
3-butan-2-yloxy-5,6-dimethylpyridazine-4-carboxylic acid
CID 62702092
8-butan-2-yloxy-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80865039
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
5-[(2S)-butan-2-yl]oxy-3-chloropyridazine
CID 86335315
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 66941020) is 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCC(C)Oc1nn2c(N)nnc2c(C)c1C.
What is the InChIKey of 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is QQEPPBBSXRGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-6(2)17-10-8(4)7(3)9-13-14-11(12)16(9)15-10/h6H,5H2,1-4H3,(H2,12,14).
What are the key properties of 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 66941020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).