5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

C13H15N5S — CID 160962196

IUPAC5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCc2cc3c(nn2)CC=C3)s1
InChIInChI=1S/C13H15N5S/c14-13-18-17-12(19-13)7-2-1-5-10-8-9-4-3-6-11(9)16-15-10/h3-4,8H,1-2,5-7H2,(H2,14,18)
InChIKeySXDNJFRINAXHJR-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.05
Rot. Bonds5

About 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine

5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 160962196) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
PubChem CID160962196
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCc2cc3c(nn2)CC=C3)s1
InChIInChI=1S/C13H15N5S/c14-13-18-17-12(19-13)7-2-1-5-10-8-9-4-3-6-11(9)16-15-10/h3-4,8H,1-2,5-7H2,(H2,14,18)
InChIKeySXDNJFRINAXHJR-UHFFFAOYSA-N
XLogP2.05
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[3-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]pyridazin-3-amine
CID 146202165
5-[4-(6-Aminopyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 147726274
5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 159314901
5-[3-(4-Pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine
CID 163812955
5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 11053857
5-(3-Ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
CID 104670740
5-(3,6-Dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-amine
CID 104670742
2-Chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole
CID 104672413
2-(3-Ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole
CID 104672417
5-[4-(7H-cyclopenta[c]pyridazin-3-yl)but-3-ynyl]-1,3,4-thiadiazol-2-amine
CID 161548187
5-[(4-Pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine
CID 163825540
5-[[4-(5-Methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
CID 163913829

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine (CID 160962196) is 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCCc2cc3c(nn2)CC=C3)s1.
What is the InChIKey of 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SXDNJFRINAXHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c14-13-18-17-12(19-13)7-2-1-5-10-8-9-4-3-6-11(9)16-15-10/h3-4,8H,1-2,5-7H2,(H2,14,18).
What are the key properties of 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine?
5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 160962196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).