6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H16N6O — CID 66282443

IUPAC6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN(C)CCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-3-15(2)7-6-11-8-4-5-9-12-13-10(17)16(9)14-8/h4-5H,3,6-7H2,1-2H3,(H,11,14)(H,13,17)
InChIKeySVTCUVKKMQSLBN-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.22
Rot. Bonds5

About 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282443) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282443
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN(C)CCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H16N6O/c1-3-15(2)7-6-11-8-4-5-9-12-13-10(17)16(9)14-8/h4-5H,3,6-7H2,1-2H3,(H,11,14)(H,13,17)
InChIKeySVTCUVKKMQSLBN-UHFFFAOYSA-N
XLogP-0.22
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282443) is 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCN(C)CCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SVTCUVKKMQSLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-3-15(2)7-6-11-8-4-5-9-12-13-10(17)16(9)14-8/h4-5H,3,6-7H2,1-2H3,(H,11,14)(H,13,17).
What are the key properties of 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 236.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).