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

C11H15N5O2 — CID 103269688

IUPAC6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3CCC(O)C3)nn12
InChIInChI=1S/C11H15N5O2/c17-8-2-1-7(5-8)6-12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,1-2,5-6H2,(H,12,15)(H,14,18)
InChIKeyBQYBZPKNXZMIDS-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds3

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

6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103269688) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103269688
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3CCC(O)C3)nn12
InChIInChI=1S/C11H15N5O2/c17-8-2-1-7(5-8)6-12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,1-2,5-6H2,(H,12,15)(H,14,18)
InChIKeyBQYBZPKNXZMIDS-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103269688) is 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC3CCC(O)C3)nn12.
What is the InChIKey of 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is BQYBZPKNXZMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-8-2-1-7(5-8)6-12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,1-2,5-6H2,(H,12,15)(H,14,18).
What are the key properties of 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxycyclopentyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103269688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).