1-(3-phenyltriazol-4-yl)butylhydrazine

C12H17N5 — CID 105202328

IUPAC1-(3-phenyltriazol-4-yl)butylhydrazine
SMILESCCCC(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H17N5/c1-2-6-11(15-13)12-9-14-16-17(12)10-7-4-3-5-8-10/h3-5,7-9,11,15H,2,6,13H2,1H3
InChIKeyTYNKEEFEPWLNCV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-phenyltriazol-4-yl)butylhydrazine

1-(3-phenyltriazol-4-yl)butylhydrazine (PubChem CID 105202328) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)butylhydrazine.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)butylhydrazine
PubChem CID105202328
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(3-phenyltriazol-4-yl)butylhydrazine
SMILESCCCC(NN)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H17N5/c1-2-6-11(15-13)12-9-14-16-17(12)10-7-4-3-5-8-10/h3-5,7-9,11,15H,2,6,13H2,1H3
InChIKeyTYNKEEFEPWLNCV-UHFFFAOYSA-N
XLogP1.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)heptylhydrazine
CID 105337463
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
[2-butan-2-ylsulfanyl-1-(3-phenyltriazol-4-yl)ethyl]hydrazine
CID 105227341
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
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
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
1-pyrazolo[1,5-a]pyridin-3-ylbutylhydrazine
CID 103129377
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
CID 105274950
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)butylhydrazine?
The IUPAC name of 1-(3-phenyltriazol-4-yl)butylhydrazine (CID 105202328) is 1-(3-phenyltriazol-4-yl)butylhydrazine.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)butylhydrazine?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)butylhydrazine is CCCC(NN)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)butylhydrazine?
The InChIKey is TYNKEEFEPWLNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-6-11(15-13)12-9-14-16-17(12)10-7-4-3-5-8-10/h3-5,7-9,11,15H,2,6,13H2,1H3.
What are the key properties of 1-(3-phenyltriazol-4-yl)butylhydrazine?
1-(3-phenyltriazol-4-yl)butylhydrazine has a molecular weight of 231.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)butylhydrazine is sourced from PubChem (CID 105202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).