6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H20N6O — CID 66283839

IUPAC6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(CCNC(C)(C)C)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H20N6O/c1-12(2,3)13-7-8-17(4)10-6-5-9-14-15-11(19)18(9)16-10/h5-6,13H,7-8H2,1-4H3,(H,15,19)
InChIKeyQBHMGAQIVWWHBS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds4

About 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283839) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283839
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(CCNC(C)(C)C)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H20N6O/c1-12(2,3)13-7-8-17(4)10-6-5-9-14-15-11(19)18(9)16-10/h5-6,13H,7-8H2,1-4H3,(H,15,19)
InChIKeyQBHMGAQIVWWHBS-UHFFFAOYSA-N
XLogP0.24
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283839) is 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CN(CCNC(C)(C)C)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is QBHMGAQIVWWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-12(2,3)13-7-8-17(4)10-6-5-9-14-15-11(19)18(9)16-10/h5-6,13H,7-8H2,1-4H3,(H,15,19).
What are the key properties of 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).