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

C11H15N5O3 — CID 106102384

IUPAC6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1OCCC1(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H15N5O3/c1-7-11(18,4-5-19-7)6-12-8-2-3-9-13-14-10(17)16(9)15-8/h2-3,7,18H,4-6H2,1H3,(H,12,15)(H,14,17)
InChIKeyDVVHRQLYCWZYPI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.63
Rot. Bonds3

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

6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 106102384) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID106102384
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1OCCC1(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H15N5O3/c1-7-11(18,4-5-19-7)6-12-8-2-3-9-13-14-10(17)16(9)15-8/h2-3,7,18H,4-6H2,1H3,(H,12,15)(H,14,17)
InChIKeyDVVHRQLYCWZYPI-UHFFFAOYSA-N
XLogP-0.63
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 106102384) is 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1OCCC1(O)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DVVHRQLYCWZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7-11(18,4-5-19-7)6-12-8-2-3-9-13-14-10(17)16(9)15-8/h2-3,7,18H,4-6H2,1H3,(H,12,15)(H,14,17).
What are the key properties of 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 265.27 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 106102384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).