[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine

C13H14F3N3S — CID 112745747

IUPAC[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine
SMILESNNC(CCc1cccnc1)c1cscc1C(F)(F)F
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)11-8-20-7-10(11)12(19-17)4-3-9-2-1-5-18-6-9/h1-2,5-8,12,19H,3-4,17H2
InChIKeyJOQAGNKPMSWYLR-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.30
Rot. Bonds5

About [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine

[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine (PubChem CID 112745747) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine.

Molecular Properties

Compound Name[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine
PubChem CID112745747
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine
SMILESNNC(CCc1cccnc1)c1cscc1C(F)(F)F
InChIInChI=1S/C13H14F3N3S/c14-13(15,16)11-8-20-7-10(11)12(19-17)4-3-9-2-1-5-18-6-9/h1-2,5-8,12,19H,3-4,17H2
InChIKeyJOQAGNKPMSWYLR-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
[1-(4-chloro-2-fluorophenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105328422
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
[1-(1-benzothiophen-7-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105327733
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
CID 107292272
(3-pyridin-3-yl-1-quinolin-7-ylpropyl)hydrazine
CID 105327570
[1-(1-benzofuran-2-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105337807
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
[1-(3-fluoro-4-pyridinyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105335444

Frequently Asked Questions

What is the IUPAC name of [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine?
The IUPAC name of [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine (CID 112745747) is [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine.
What is the SMILES notation for [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine?
The canonical SMILES for [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine is NNC(CCc1cccnc1)c1cscc1C(F)(F)F.
What is the InChIKey of [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine?
The InChIKey is JOQAGNKPMSWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c14-13(15,16)11-8-20-7-10(11)12(19-17)4-3-9-2-1-5-18-6-9/h1-2,5-8,12,19H,3-4,17H2.
What are the key properties of [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine?
[3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine has a molecular weight of 301.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-pyridin-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]propyl]hydrazine is sourced from PubChem (CID 112745747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).