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

C13H19N5O — CID 66284395

IUPAC6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H19N5O/c1-9-4-2-3-5-10(9)8-14-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,17)(H,16,19)
InChIKeyKBWBQPTXGGUEMM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.66
Rot. Bonds3

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

6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284395) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284395
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCCCC1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H19N5O/c1-9-4-2-3-5-10(9)8-14-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,17)(H,16,19)
InChIKeyKBWBQPTXGGUEMM-UHFFFAOYSA-N
XLogP1.66
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284395) is 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1CCCCC1CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is KBWBQPTXGGUEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-4-2-3-5-10(9)8-14-11-6-7-12-15-16-13(19)18(12)17-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,17)(H,16,19).
What are the key properties of 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).