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

C11H16N6O — CID 66281643

IUPAC6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H16N6O/c12-7-1-3-8(4-2-7)13-9-5-6-10-14-15-11(18)17(10)16-9/h5-8H,1-4,12H2,(H,13,16)(H,15,18)
InChIKeyIZRGCTYHEIMVMW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.10
Rot. Bonds2

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

6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281643) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281643
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C11H16N6O/c12-7-1-3-8(4-2-7)13-9-5-6-10-14-15-11(18)17(10)16-9/h5-8H,1-4,12H2,(H,13,16)(H,15,18)
InChIKeyIZRGCTYHEIMVMW-UHFFFAOYSA-N
XLogP0.10
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281643) is 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NC1CCC(Nc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is IZRGCTYHEIMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-7-1-3-8(4-2-7)13-9-5-6-10-14-15-11(18)17(10)16-9/h5-8H,1-4,12H2,(H,13,16)(H,15,18).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 248.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).