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

C11H15N5O2 — CID 66282451

IUPAC6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(O)CCCC3)nn12
InChIInChI=1S/C11H15N5O2/c17-10-14-13-9-4-3-8(15-16(9)10)12-7-11(18)5-1-2-6-11/h3-4,18H,1-2,5-7H2,(H,12,15)(H,14,17)
InChIKeySURGHVZEBSLOMC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.13
Rot. Bonds3

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

6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282451) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282451
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3(O)CCCC3)nn12
InChIInChI=1S/C11H15N5O2/c17-10-14-13-9-4-3-8(15-16(9)10)12-7-11(18)5-1-2-6-11/h3-4,18H,1-2,5-7H2,(H,12,15)(H,14,17)
InChIKeySURGHVZEBSLOMC-UHFFFAOYSA-N
XLogP0.13
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282451) is 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC3(O)CCCC3)nn12.
What is the InChIKey of 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SURGHVZEBSLOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-10-14-13-9-4-3-8(15-16(9)10)12-7-11(18)5-1-2-6-11/h3-4,18H,1-2,5-7H2,(H,12,15)(H,14,17).
What are the key properties of 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).