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

C12H17N5O2 — CID 102636048

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(c1ccc2n[nH]c(=O)n2n1)C1CCCCC1O
InChIInChI=1S/C12H17N5O2/c1-16(8-4-2-3-5-9(8)18)11-7-6-10-13-14-12(19)17(10)15-11/h6-9,18H,2-5H2,1H3,(H,14,19)
InChIKeyPJUGMAALUPVQJT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.16
Rot. Bonds2

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

6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102636048) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102636048
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(c1ccc2n[nH]c(=O)n2n1)C1CCCCC1O
InChIInChI=1S/C12H17N5O2/c1-16(8-4-2-3-5-9(8)18)11-7-6-10-13-14-12(19)17(10)15-11/h6-9,18H,2-5H2,1H3,(H,14,19)
InChIKeyPJUGMAALUPVQJT-UHFFFAOYSA-N
XLogP0.16
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102636048) is 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CN(c1ccc2n[nH]c(=O)n2n1)C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PJUGMAALUPVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16(8-4-2-3-5-9(8)18)11-7-6-10-13-14-12(19)17(10)15-11/h6-9,18H,2-5H2,1H3,(H,14,19).
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102636048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).