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

C16H15Cl2N5 — CID 674115

IUPAC3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(Cl)c1-c1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C16H15Cl2N5/c17-11-5-4-6-12(18)15(11)16-20-19-13-7-8-14(21-23(13)16)22-9-2-1-3-10-22/h4-8H,1-3,9-10H2
InChIKeyOUTDQWKUQRYBGW-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.09
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 674115) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID674115
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cccc(Cl)c1-c1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C16H15Cl2N5/c17-11-5-4-6-12(18)15(11)16-20-19-13-7-8-14(21-23(13)16)22-9-2-1-3-10-22/h4-8H,1-3,9-10H2
InChIKeyOUTDQWKUQRYBGW-UHFFFAOYSA-N
XLogP4.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134811174
1-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclohexylpiperidine-4-carboxamide
CID 53038515
3-chloro-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 63724977
3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133312575
6-piperidin-1-yl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339508
(2-chlorophenyl)-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134803166
6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133391043
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134802545
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 47060299

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 674115) is 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1cccc(Cl)c1-c1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OUTDQWKUQRYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c17-11-5-4-6-12(18)15(11)16-20-19-13-7-8-14(21-23(13)16)22-9-2-1-3-10-22/h4-8H,1-3,9-10H2.
What are the key properties of 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 348.24 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 674115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).