2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

C8H10N6O2 — CID 66283991

IUPAC2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCC(Nc1ccc2n[nH]c(=O)n2n1)C(N)=O
InChIInChI=1S/C8H10N6O2/c1-4(7(9)15)10-5-2-3-6-11-12-8(16)14(6)13-5/h2-4H,1H3,(H2,9,15)(H,10,13)(H,12,16)
InChIKeyZLHSLCGBCZTQDQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.30
Rot. Bonds3

About 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide

2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (PubChem CID 66283991) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
PubChem CID66283991
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
SMILESCC(Nc1ccc2n[nH]c(=O)n2n1)C(N)=O
InChIInChI=1S/C8H10N6O2/c1-4(7(9)15)10-5-2-3-6-11-12-8(16)14(6)13-5/h2-4H,1H3,(H2,9,15)(H,10,13)(H,12,16)
InChIKeyZLHSLCGBCZTQDQ-UHFFFAOYSA-N
XLogP-1.30
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(4-methylpentan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283010
6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103757099
6-[(1-amino-3,3-dimethylbutan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114208142
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 103755915
6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283802
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-[[2-methyl-3-(methylamino)propyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113282677
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283400
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea
CID 83112049

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide (CID 66283991) is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide.
What is the SMILES notation for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The canonical SMILES for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is CC(Nc1ccc2n[nH]c(=O)n2n1)C(N)=O.
What is the InChIKey of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
The InChIKey is ZLHSLCGBCZTQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-4(7(9)15)10-5-2-3-6-11-12-8(16)14(6)13-5/h2-4H,1H3,(H2,9,15)(H,10,13)(H,12,16).
What are the key properties of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide?
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide has a molecular weight of 222.21 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide is sourced from PubChem (CID 66283991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).