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

C11H17N5O2 — CID 103918270

IUPAC6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCCCCCO)nn12
InChIInChI=1S/C11H17N5O2/c17-8-4-2-1-3-7-12-9-5-6-10-13-14-11(18)16(10)15-9/h5-6,17H,1-4,7-8H2,(H,12,15)(H,14,18)
InChIKeyWACUDVNDKRINDO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.38
Rot. Bonds7

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

6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103918270) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103918270
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCCCCCO)nn12
InChIInChI=1S/C11H17N5O2/c17-8-4-2-1-3-7-12-9-5-6-10-13-14-11(18)16(10)15-9/h5-6,17H,1-4,7-8H2,(H,12,15)(H,14,18)
InChIKeyWACUDVNDKRINDO-UHFFFAOYSA-N
XLogP0.38
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103918270) is 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCCCCCO)nn12.
What is the InChIKey of 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WACUDVNDKRINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-8-4-2-1-3-7-12-9-5-6-10-13-14-11(18)16(10)15-9/h5-6,17H,1-4,7-8H2,(H,12,15)(H,14,18).
What are the key properties of 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhexylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103918270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).