N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C4H8N4O2S — CID 60982301

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C4H8N4O2S/c1-11(9,10)7-2-4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8)
InChIKeyJGAPZFXLSVPIGC-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.15
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 60982301) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID60982301
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C4H8N4O2S/c1-11(9,10)7-2-4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8)
InChIKeyJGAPZFXLSVPIGC-UHFFFAOYSA-N
XLogP-1.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 60982301) is N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is JGAPZFXLSVPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-11(9,10)7-2-4-5-3-6-8-4/h3,7H,2H2,1H3,(H,5,6,8).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 60982301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).