[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine

C14H21N5S — CID 105227341

IUPAC[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H21N5S/c1-3-11(2)20-10-13(17-15)14-9-16-18-19(14)12-7-5-4-6-8-12/h4-9,11,13,17H,3,10,15H2,1-2H3
InChIKeyJZNJMRRLECCGPO-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.30
Rot. Bonds7

About [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine (PubChem CID 105227341) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
PubChem CID105227341
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H21N5S/c1-3-11(2)20-10-13(17-15)14-9-16-18-19(14)12-7-5-4-6-8-12/h4-9,11,13,17H,3,10,15H2,1-2H3
InChIKeyJZNJMRRLECCGPO-UHFFFAOYSA-N
XLogP2.30
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
[2-butan-2-ylsulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105227220
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
CID 105274950
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
[(2-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 107194806

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine (CID 105227341) is [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine is CCC(C)SCC(NN)c1cnnn1-c1ccccc1.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is JZNJMRRLECCGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-11(2)20-10-13(17-15)14-9-16-18-19(14)12-7-5-4-6-8-12/h4-9,11,13,17H,3,10,15H2,1-2H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 291.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105227341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).