3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H22Cl2N6 — CID 133312575

IUPAC3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCN1CCCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H22Cl2N6/c1-2-6-25-7-3-8-26(10-9-25)18-5-4-17-22-23-19(27(17)24-18)14-11-15(20)13-16(21)12-14/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeySXVDEZMBJMRPPY-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.02
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133312575) has the molecular formula C19H22Cl2N6 and a molecular weight of 405.33 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133312575
Molecular FormulaC19H22Cl2N6
Molecular Weight405.33 g/mol
Exact Mass404.13
IUPAC Name3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCN1CCCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H22Cl2N6/c1-2-6-25-7-3-8-26(10-9-25)18-5-4-17-22-23-19(27(17)24-18)14-11-15(20)13-16(21)12-14/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeySXVDEZMBJMRPPY-UHFFFAOYSA-N
XLogP4.02
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 674115
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378221
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465557
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
6-(4-but-3-ynylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133407069
tert-butyl N-[1-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 133293196
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
3-tert-butyl-6-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489615

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133312575) is 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCCN1CCCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SXVDEZMBJMRPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6/c1-2-6-25-7-3-8-26(10-9-25)18-5-4-17-22-23-19(27(17)24-18)14-11-15(20)13-16(21)12-14/h4-5,11-13H,2-3,6-10H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 405.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133312575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).