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

C10H14N4O2 — CID 66284043

IUPAC6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(O)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H14N4O2/c1-6(2)8(15)5-7-3-4-9-11-12-10(16)14(9)13-7/h3-4,6,8,15H,5H2,1-2H3,(H,12,16)
InChIKeyAVDHIWYJKSDPBZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.02
Rot. Bonds3

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

6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284043) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284043
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(O)Cc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H14N4O2/c1-6(2)8(15)5-7-3-4-9-11-12-10(16)14(9)13-7/h3-4,6,8,15H,5H2,1-2H3,(H,12,16)
InChIKeyAVDHIWYJKSDPBZ-UHFFFAOYSA-N
XLogP-0.02
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284043) is 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(C)C(O)Cc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is AVDHIWYJKSDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(2)8(15)5-7-3-4-9-11-12-10(16)14(9)13-7/h3-4,6,8,15H,5H2,1-2H3,(H,12,16).
What are the key properties of 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 222.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).