1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

C14H20N6O — CID 63573811

IUPAC1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1
InChIInChI=1S/C14H20N6O/c1-2-19(10-12-6-4-3-5-7-12)8-9-20-11-13(17-18-20)14(21)16-15/h3-7,11H,2,8-10,15H2,1H3,(H,16,21)
InChIKeyMADTUBPJWYCRQU-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.40
Rot. Bonds7

About 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide

1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 63573811) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID63573811
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCCN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1
InChIInChI=1S/C14H20N6O/c1-2-19(10-12-6-4-3-5-7-12)8-9-20-11-13(17-18-20)14(21)16-15/h3-7,11H,2,8-10,15H2,1H3,(H,16,21)
InChIKeyMADTUBPJWYCRQU-UHFFFAOYSA-N
XLogP0.40
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 107402406
1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
CID 63584216
1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992
1-[2-[bis(cyanomethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63569212
1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
CID 63578074
1-[2-[propan-2-yl(propyl)amino]ethyl]triazole-4-carbohydrazide
CID 63574218
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61446251
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
1-[2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]triazole-4-carboxylic acid
CID 54948315
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-(3-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584328

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide (CID 63573811) is 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is CCN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is MADTUBPJWYCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-19(10-12-6-4-3-5-7-12)8-9-20-11-13(17-18-20)14(21)16-15/h3-7,11H,2,8-10,15H2,1H3,(H,16,21).
What are the key properties of 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 288.36 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63573811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).