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

C10H15N5O2 — CID 66282449

IUPAC6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC(C)(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-3-10(2,17)6-11-7-4-5-8-12-13-9(16)15(8)14-7/h4-5,17H,3,6H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyCCNYCUHKURNMCU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.01
Rot. Bonds4

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

6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282449) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282449
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCC(C)(O)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-3-10(2,17)6-11-7-4-5-8-12-13-9(16)15(8)14-7/h4-5,17H,3,6H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyCCNYCUHKURNMCU-UHFFFAOYSA-N
XLogP-0.01
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
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-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282449) is 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCC(C)(O)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CCNYCUHKURNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-10(2,17)6-11-7-4-5-8-12-13-9(16)15(8)14-7/h4-5,17H,3,6H2,1-2H3,(H,11,14)(H,13,16).
What are the key properties of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).