N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide

C6H12N4O2S — CID 551666

IUPACN,N-diethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C6H12N4O2S/c1-3-10(4-2)13(11,12)6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyVLGZTOGABYNHMH-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.16
Rot. Bonds4

About N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide

N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 551666) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID551666
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN,N-diethyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ncn[nH]1
InChIInChI=1S/C6H12N4O2S/c1-3-10(4-2)13(11,12)6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyVLGZTOGABYNHMH-UHFFFAOYSA-N
XLogP-0.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide (CID 551666) is N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ncn[nH]1.
What is the InChIKey of N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is VLGZTOGABYNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-3-10(4-2)13(11,12)6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide?
N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 551666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).