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

C13H13N5O — CID 66283792

IUPAC6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccccc3)nn12
InChIInChI=1S/C13H13N5O/c19-13-16-15-12-7-6-11(17-18(12)13)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,17)(H,16,19)
InChIKeyDUJGIIACJRMEBL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.07
Rot. Bonds4

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

6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283792) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283792
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccccc3)nn12
InChIInChI=1S/C13H13N5O/c19-13-16-15-12-7-6-11(17-18(12)13)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,17)(H,16,19)
InChIKeyDUJGIIACJRMEBL-UHFFFAOYSA-N
XLogP1.07
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284020
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282051
6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756503
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756594
6-[(1-chloro-3-phenylpropan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282290
6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282248
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283792) is 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCc3ccccc3)nn12.
What is the InChIKey of 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DUJGIIACJRMEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13-16-15-12-7-6-11(17-18(12)13)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,17)(H,16,19).
What are the key properties of 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).