(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide

C5H10N4O2S — CID 165475201

IUPAC(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCc1nc(CS(N)(=O)=O)n(C)n1
InChIInChI=1S/C5H10N4O2S/c1-4-7-5(9(2)8-4)3-12(6,10)11/h3H2,1-2H3,(H2,6,10,11)
InChIKeyFOJCSRKHAZJCPN-UHFFFAOYSA-N
MW190.23 g/mol
LogP-1.09
Rot. Bonds2

About (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide

(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide (PubChem CID 165475201) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide
PubChem CID165475201
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC Name(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide
SMILESCc1nc(CS(N)(=O)=O)n(C)n1
InChIInChI=1S/C5H10N4O2S/c1-4-7-5(9(2)8-4)3-12(6,10)11/h3H2,1-2H3,(H2,6,10,11)
InChIKeyFOJCSRKHAZJCPN-UHFFFAOYSA-N
XLogP-1.09
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide?
The IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide (CID 165475201) is (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide.
What is the SMILES notation for (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide?
The canonical SMILES for (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide is Cc1nc(CS(N)(=O)=O)n(C)n1.
What is the InChIKey of (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide?
The InChIKey is FOJCSRKHAZJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-4-7-5(9(2)8-4)3-12(6,10)11/h3H2,1-2H3,(H2,6,10,11).
What are the key properties of (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide?
(2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide is sourced from PubChem (CID 165475201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).