3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H22Cl2N6O — CID 133312174

IUPAC3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(C)C1(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCOCC1
InChIInChI=1S/C19H22Cl2N6O/c1-26(2)19(5-7-28-8-6-19)12-22-16-3-4-17-23-24-18(27(17)25-16)13-9-14(20)11-15(21)10-13/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,25)
InChIKeyFKVKQWPTUXAHTE-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.62
Rot. Bonds5

About 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133312174) has the molecular formula C19H22Cl2N6O and a molecular weight of 421.33 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133312174
Molecular FormulaC19H22Cl2N6O
Molecular Weight421.33 g/mol
Exact Mass420.12
IUPAC Name3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(C)C1(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCOCC1
InChIInChI=1S/C19H22Cl2N6O/c1-26(2)19(5-7-28-8-6-19)12-22-16-3-4-17-23-24-18(27(17)25-16)13-9-14(20)11-15(21)10-13/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,25)
InChIKeyFKVKQWPTUXAHTE-UHFFFAOYSA-N
XLogP3.62
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine 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 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133312174) is 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(C)C1(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CCOCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FKVKQWPTUXAHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6O/c1-26(2)19(5-7-28-8-6-19)12-22-16-3-4-17-23-24-18(27(17)25-16)13-9-14(20)11-15(21)10-13/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 421.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133312174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).