2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide

C7H14N6O3S — CID 54901713

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H14N6O3S/c1-17(15,16)11-3-2-9-6(14)4-13-5-10-7(8)12-13/h5,11H,2-4H2,1H3,(H2,8,12)(H,9,14)
InChIKeyMIGKYTZDFYRBRU-UHFFFAOYSA-N
MW262.29 g/mol
LogP-2.47
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 54901713) has the molecular formula C7H14N6O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID54901713
Molecular FormulaC7H14N6O3S
Molecular Weight262.29 g/mol
Exact Mass262.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H14N6O3S/c1-17(15,16)11-3-2-9-6(14)4-13-5-10-7(8)12-13/h5,11H,2-4H2,1H3,(H2,8,12)(H,9,14)
InChIKeyMIGKYTZDFYRBRU-UHFFFAOYSA-N
XLogP-2.47
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide 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 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide (CID 54901713) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide is CS(=O)(=O)NCCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is MIGKYTZDFYRBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3S/c1-17(15,16)11-3-2-9-6(14)4-13-5-10-7(8)12-13/h5,11H,2-4H2,1H3,(H2,8,12)(H,9,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 262.29 g/mol, XLogP of -2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 54901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).