N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H14FN5S — CID 133488143

IUPACN-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(CCNc2ccc3nnc(-c4ccsc4)n3n2)cc1
InChIInChI=1S/C17H14FN5S/c18-14-3-1-12(2-4-14)7-9-19-15-5-6-16-20-21-17(23(16)22-15)13-8-10-24-11-13/h1-6,8,10-11H,7,9H2,(H,19,22)
InChIKeyHWSVZZSZJMTZRJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133488143) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133488143
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(CCNc2ccc3nnc(-c4ccsc4)n3n2)cc1
InChIInChI=1S/C17H14FN5S/c18-14-3-1-12(2-4-14)7-9-19-15-5-6-16-20-21-17(23(16)22-15)13-8-10-24-11-13/h1-6,8,10-11H,7,9H2,(H,19,22)
InChIKeyHWSVZZSZJMTZRJ-UHFFFAOYSA-N
XLogP3.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489634
N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560
3-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133366197
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20878006
N-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 133490027
3-amino-5-[3-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 133488575
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489914
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489216
3-(4-fluorophenyl)-N-[3-(1,2,4-triazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 167974477
6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282051
N-(2-morpholin-4-ylpropyl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489519

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133488143) is N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccc(CCNc2ccc3nnc(-c4ccsc4)n3n2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HWSVZZSZJMTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5S/c18-14-3-1-12(2-4-14)7-9-19-15-5-6-16-20-21-17(23(16)22-15)13-8-10-24-11-13/h1-6,8,10-11H,7,9H2,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133488143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).