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

C11H17N5O2 — CID 103757099

IUPAC6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(CCO)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H17N5O2/c1-7(2)8(5-6-17)12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,5-6H2,1-2H3,(H,12,15)(H,14,18)
InChIKeyGHYBMEJBJRVMRZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.24
Rot. Bonds5

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

6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 103757099) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID103757099
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(CCO)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H17N5O2/c1-7(2)8(5-6-17)12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,5-6H2,1-2H3,(H,12,15)(H,14,18)
InChIKeyGHYBMEJBJRVMRZ-UHFFFAOYSA-N
XLogP0.24
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 103757099) is 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(C)C(CCO)Nc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is GHYBMEJBJRVMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(2)8(5-6-17)12-9-3-4-10-13-14-11(18)16(10)15-9/h3-4,7-8,17H,5-6H2,1-2H3,(H,12,15)(H,14,18).
What are the key properties of 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4-methylpentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 103757099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).