N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

C5H10N4O2S — CID 131026012

IUPACN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(C)(=O)=O)n[nH]1
InChIInChI=1S/C5H10N4O2S/c1-4-7-5(9-8-4)3-6-12(2,10)11/h6H,3H2,1-2H3,(H,7,8,9)
InChIKeyKBOZACOAEBPJEO-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.84
Rot. Bonds3

About N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 131026012) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID131026012
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(C)(=O)=O)n[nH]1
InChIInChI=1S/C5H10N4O2S/c1-4-7-5(9-8-4)3-6-12(2,10)11/h6H,3H2,1-2H3,(H,7,8,9)
InChIKeyKBOZACOAEBPJEO-UHFFFAOYSA-N
XLogP-0.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 131026012) is N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is Cc1nc(CNS(C)(=O)=O)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is KBOZACOAEBPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-4-7-5(9-8-4)3-6-12(2,10)11/h6H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 131026012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).