6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C18H21ClN6 — CID 29136402

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn12
InChIInChI=1S/C18H21ClN6/c1-13(2)18-21-20-16-6-7-17(22-25(16)18)24-10-8-23(9-11-24)15-5-3-4-14(19)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyDURLCWCLLCSOMS-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.23
Rot. Bonds3

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 29136402) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID29136402
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn12
InChIInChI=1S/C18H21ClN6/c1-13(2)18-21-20-16-6-7-17(22-25(16)18)24-10-8-23(9-11-24)15-5-3-4-14(19)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyDURLCWCLLCSOMS-UHFFFAOYSA-N
XLogP3.23
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1252245
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
3-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308225
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17417962
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 674115
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
[1-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50783216

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 29136402) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1nnc2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn12.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DURLCWCLLCSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-13(2)18-21-20-16-6-7-17(22-25(16)18)24-10-8-23(9-11-24)15-5-3-4-14(19)12-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 356.86 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 29136402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).