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

C10H13N5O2 — CID 66281469

IUPAC6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NC3CCCOC3)nn12
InChIInChI=1S/C10H13N5O2/c16-10-13-12-9-4-3-8(14-15(9)10)11-7-2-1-5-17-6-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16)
InChIKeySSHZUAQQPQIGQA-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.01
Rot. Bonds2

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

6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281469) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281469
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NC3CCCOC3)nn12
InChIInChI=1S/C10H13N5O2/c16-10-13-12-9-4-3-8(14-15(9)10)11-7-2-1-5-17-6-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16)
InChIKeySSHZUAQQPQIGQA-UHFFFAOYSA-N
XLogP0.01
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281469) is 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NC3CCCOC3)nn12.
What is the InChIKey of 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SSHZUAQQPQIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-10-13-12-9-4-3-8(14-15(9)10)11-7-2-1-5-17-6-7/h3-4,7H,1-2,5-6H2,(H,11,14)(H,13,16).
What are the key properties of 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 235.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).