N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine

C5H11N5O3S — CID 114815885

IUPACN-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O3S/c1-13-3-2-8-14(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10)
InChIKeyKFLWOIWAUBAFEX-UHFFFAOYSA-N
MW221.24 g/mol
LogP-1.30
Rot. Bonds6

About N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine

N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine (PubChem CID 114815885) has the molecular formula C5H11N5O3S and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine
PubChem CID114815885
Molecular FormulaC5H11N5O3S
Molecular Weight221.24 g/mol
Exact Mass221.06
IUPAC NameN-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine
SMILESCOCCNS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H11N5O3S/c1-13-3-2-8-14(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10)
InChIKeyKFLWOIWAUBAFEX-UHFFFAOYSA-N
XLogP-1.30
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine (CID 114815885) is N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine is COCCNS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is KFLWOIWAUBAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O3S/c1-13-3-2-8-14(11,12)10-5-6-4-7-9-5/h4,8H,2-3H2,1H3,(H2,6,7,9,10).
What are the key properties of N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine?
N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 221.24 g/mol, XLogP of -1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 114815885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).