methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate

C6H10N4O4S — CID 67215267

IUPACmethyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate
SMILESCOC(=O)c1n[nH]nc1N(C)S(C)(=O)=O
InChIInChI=1S/C6H10N4O4S/c1-10(15(3,12)13)5-4(6(11)14-2)7-9-8-5/h1-3H3,(H,7,8,9)
InChIKeyFSXPUMQUQANYDA-UHFFFAOYSA-N
MW234.24 g/mol
LogP-1.01
Rot. Bonds3

About methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate

methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate (PubChem CID 67215267) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate
PubChem CID67215267
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Namemethyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate
SMILESCOC(=O)c1n[nH]nc1N(C)S(C)(=O)=O
InChIInChI=1S/C6H10N4O4S/c1-10(15(3,12)13)5-4(6(11)14-2)7-9-8-5/h1-3H3,(H,7,8,9)
InChIKeyFSXPUMQUQANYDA-UHFFFAOYSA-N
XLogP-1.01
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(5-methoxycarbonyl-2H-triazol-4-yl)-methylamino]methanesulfinic acid
CID 174520020
5-methoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998517
methyl 5-(methylcarbamoyl)-2H-triazole-4-carboxylate
CID 146299699
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
methyl 3-[ethyl(methylsulfonyl)amino]pyrazine-2-carboxylate
CID 174683823
methyl 4-bromo-5-(methylsulfonylmethyl)-1H-pyrazole-3-carboxylate
CID 164907491
methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CID 18526038
methyl 5-(1,3-oxazol-4-yl)-2H-triazole-4-carboxylate
CID 165462312
methyl 5-(1H-imidazol-2-yl)-2H-triazole-4-carboxylate
CID 165467047
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
CID 67099878
methyl 5-(3,4-dimethylphenyl)-2H-triazole-4-carboxylate
CID 121003420
methyl 4-bromo-5-chlorosulfonyl-1H-pyrazole-3-carboxylate
CID 165462973

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate?
The IUPAC name of methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate (CID 67215267) is methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate.
What is the SMILES notation for methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate?
The canonical SMILES for methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate is COC(=O)c1n[nH]nc1N(C)S(C)(=O)=O.
What is the InChIKey of methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate?
The InChIKey is FSXPUMQUQANYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c1-10(15(3,12)13)5-4(6(11)14-2)7-9-8-5/h1-3H3,(H,7,8,9).
What are the key properties of methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate?
methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate has a molecular weight of 234.24 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxylate is sourced from PubChem (CID 67215267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).