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

C10H13N5O — CID 66283227

IUPAC6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCC3CC3)nn12
InChIInChI=1S/C10H13N5O/c16-10-13-12-9-4-3-8(14-15(9)10)11-6-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16)
InChIKeyKBFRNTIXEZUISI-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.63
Rot. Bonds4

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

6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283227) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283227
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCC3CC3)nn12
InChIInChI=1S/C10H13N5O/c16-10-13-12-9-4-3-8(14-15(9)10)11-6-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16)
InChIKeyKBFRNTIXEZUISI-UHFFFAOYSA-N
XLogP0.63
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283227) is 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCC3CC3)nn12.
What is the InChIKey of 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is KBFRNTIXEZUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-13-12-9-4-3-8(14-15(9)10)11-6-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16).
What are the key properties of 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 219.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).