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

C9H18N6O3S — CID 79859256

IUPAC1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)CCS(C)(=O)=O
InChIInChI=1S/C9H18N6O3S/c1-14(5-6-19(2,17)18)3-4-15-7-8(12-13-15)9(16)11-10/h7H,3-6,10H2,1-2H3,(H,11,16)
InChIKeyBZESSVJVHOHAMS-UHFFFAOYSA-N
MW290.35 g/mol
LogP-2.14
Rot. Bonds7

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

1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide (PubChem CID 79859256) has the molecular formula C9H18N6O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
PubChem CID79859256
Molecular FormulaC9H18N6O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)CCS(C)(=O)=O
InChIInChI=1S/C9H18N6O3S/c1-14(5-6-19(2,17)18)3-4-15-7-8(12-13-15)9(16)11-10/h7H,3-6,10H2,1-2H3,(H,11,16)
InChIKeyBZESSVJVHOHAMS-UHFFFAOYSA-N
XLogP-2.14
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide (CID 79859256) is 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide is CN(CCn1cc(C(=O)NN)nn1)CCS(C)(=O)=O.
What is the InChIKey of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide?
The InChIKey is BZESSVJVHOHAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3S/c1-14(5-6-19(2,17)18)3-4-15-7-8(12-13-15)9(16)11-10/h7H,3-6,10H2,1-2H3,(H,11,16).
What are the key properties of 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide?
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide has a molecular weight of 290.35 g/mol, XLogP of -2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 79859256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).