6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H11N5O — CID 66282835

IUPAC6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESC#CC(C)(C)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H11N5O/c1-4-10(2,3)11-7-5-6-8-12-13-9(16)15(8)14-7/h1,5-6H,2-3H3,(H,11,14)(H,13,16)
InChIKeyKEBCGYIJKKVJLP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.24
Rot. Bonds2

About 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282835) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282835
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESC#CC(C)(C)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H11N5O/c1-4-10(2,3)11-7-5-6-8-12-13-9(16)15(8)14-7/h1,5-6H,2-3H3,(H,11,14)(H,13,16)
InChIKeyKEBCGYIJKKVJLP-UHFFFAOYSA-N
XLogP0.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(3,3-dimethylbutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113457873
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 103755915
6-[(1-amino-3,3-dimethylbutan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114208142
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-[[2-(chloromethyl)-2-ethylbutyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114164358
6-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113282677
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283629
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282835) is 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is C#CC(C)(C)Nc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is KEBCGYIJKKVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-4-10(2,3)11-7-5-6-8-12-13-9(16)15(8)14-7/h1,5-6H,2-3H3,(H,11,14)(H,13,16).
What are the key properties of 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 217.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).