6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H15ClN4S — CID 81438328

IUPAC6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCCc3cccs3)nnc2c1C
InChIInChI=1S/C14H15ClN4S/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)7-3-5-11-6-4-8-20-11/h4,6,8H,3,5,7H2,1-2H3
InChIKeySIKKRFKDMQABRK-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.63
Rot. Bonds4

About 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81438328) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81438328
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCCc3cccs3)nnc2c1C
InChIInChI=1S/C14H15ClN4S/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)7-3-5-11-6-4-8-20-11/h4,6,8H,3,5,7H2,1-2H3
InChIKeySIKKRFKDMQABRK-UHFFFAOYSA-N
XLogP3.63
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-chloro-3-[(3,4-dimethylphenyl)methyl]-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442158
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
4-propan-2-yl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-sulfonamide
CID 113366302
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
ethyl 1-methyl-5-(3-thiophen-2-ylpropyl)-1,2,4-triazole-3-carboxylate
CID 63382371
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
8-propyl-3-(3-thiophen-2-ylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792424
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
2-butylthiophene;methanamine
CID 143080300
2-(5-chloropentyl)thiophene
CID 4912993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 81438328) is 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CCCc3cccs3)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SIKKRFKDMQABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-9-10(2)14-17-16-12(19(14)18-13(9)15)7-3-5-11-6-4-8-20-11/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 306.82 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-(3-thiophen-2-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81438328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).