N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide

C5H10N4O2S — CID 21324359

IUPACN-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-3-9(2)12(10,11)5-6-4-7-8-5/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyVSKYXLUJRPFGHQ-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.55
Rot. Bonds3

About N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide

N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 21324359) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID21324359
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-3-9(2)12(10,11)5-6-4-7-8-5/h4H,3H2,1-2H3,(H,6,7,8)
InChIKeyVSKYXLUJRPFGHQ-UHFFFAOYSA-N
XLogP-0.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide (CID 21324359) is N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide is CCN(C)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is VSKYXLUJRPFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-3-9(2)12(10,11)5-6-4-7-8-5/h4H,3H2,1-2H3,(H,6,7,8).
What are the key properties of N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 21324359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).