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

C13H19N5O2 — CID 66282852

IUPAC6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)C3CCCCC3)nn12
InChIInChI=1S/C13H19N5O2/c19-9-8-17(10-4-2-1-3-5-10)12-7-6-11-14-15-13(20)18(11)16-12/h6-7,10,19H,1-5,8-9H2,(H,15,20)
InChIKeySOBDEUVIPUHADQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.55
Rot. Bonds4

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

6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282852) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282852
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)C3CCCCC3)nn12
InChIInChI=1S/C13H19N5O2/c19-9-8-17(10-4-2-1-3-5-10)12-7-6-11-14-15-13(20)18(11)16-12/h6-7,10,19H,1-5,8-9H2,(H,15,20)
InChIKeySOBDEUVIPUHADQ-UHFFFAOYSA-N
XLogP0.55
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282852) is 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N(CCO)C3CCCCC3)nn12.
What is the InChIKey of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SOBDEUVIPUHADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-9-8-17(10-4-2-1-3-5-10)12-7-6-11-14-15-13(20)18(11)16-12/h6-7,10,19H,1-5,8-9H2,(H,15,20).
What are the key properties of 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 277.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).