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

C13H13N5O — CID 166632164

IUPAC6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(N(C)c2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C13H13N5O/c1-9-3-5-10(6-4-9)17(2)12-8-7-11-14-15-13(19)18(11)16-12/h3-8H,1-2H3,(H,15,19)
InChIKeyOXHGFJDPGZXTDW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.49
Rot. Bonds2

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

6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 166632164) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID166632164
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(N(C)c2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C13H13N5O/c1-9-3-5-10(6-4-9)17(2)12-8-7-11-14-15-13(19)18(11)16-12/h3-8H,1-2H3,(H,15,19)
InChIKeyOXHGFJDPGZXTDW-UHFFFAOYSA-N
XLogP1.49
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 166632164) is 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1ccc(N(C)c2ccc3n[nH]c(=O)n3n2)cc1.
What is the InChIKey of 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is OXHGFJDPGZXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-3-5-10(6-4-9)17(2)12-8-7-11-14-15-13(19)18(11)16-12/h3-8H,1-2H3,(H,15,19).
What are the key properties of 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 166632164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).