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

C6H12N4O2S — CID 64512501

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(C)(=O)=O)n[nH]1
InChIInChI=1S/C6H12N4O2S/c1-5-7-6(9-8-5)4-10(2)13(3,11)12/h4H2,1-3H3,(H,7,8,9)
InChIKeyLCGGYAZDEZJZIY-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.50
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (PubChem CID 64512501) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
PubChem CID64512501
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C)S(C)(=O)=O)n[nH]1
InChIInChI=1S/C6H12N4O2S/c1-5-7-6(9-8-5)4-10(2)13(3,11)12/h4H2,1-3H3,(H,7,8,9)
InChIKeyLCGGYAZDEZJZIY-UHFFFAOYSA-N
XLogP-0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide (CID 64512501) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is Cc1nc(CN(C)S(C)(=O)=O)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
The InChIKey is LCGGYAZDEZJZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-5-7-6(9-8-5)4-10(2)13(3,11)12/h4H2,1-3H3,(H,7,8,9).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 64512501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).