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

C13H20N6O — CID 66281706

IUPAC6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCC(CN)(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-9-4-6-13(8-14,7-5-9)15-10-2-3-11-16-17-12(20)19(11)18-10/h2-3,9H,4-8,14H2,1H3,(H,15,18)(H,17,20)
InChIKeyZXTMBKVNZRDSOG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds3

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

6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281706) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281706
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCC(CN)(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-9-4-6-13(8-14,7-5-9)15-10-2-3-11-16-17-12(20)19(11)18-10/h2-3,9H,4-8,14H2,1H3,(H,15,18)(H,17,20)
InChIKeyZXTMBKVNZRDSOG-UHFFFAOYSA-N
XLogP0.74
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-[[1-(hydroxymethyl)cyclopentyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281861
6-[[1-(hydroxymethyl)cyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282056
6-[(4,4-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283615
6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103970479
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-[(2,2-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 79870359
6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281643
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
CID 66284011
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106102384

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281706) is 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1CCC(CN)(Nc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is ZXTMBKVNZRDSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-4-6-13(8-14,7-5-9)15-10-2-3-11-16-17-12(20)19(11)18-10/h2-3,9H,4-8,14H2,1H3,(H,15,18)(H,17,20).
What are the key properties of 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).