N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide

C7H12N4OS — CID 112698098

IUPACN-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
SMILESCSCCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4OS/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyORGNPRLKPZUNPS-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.24
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide

N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide (PubChem CID 112698098) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
PubChem CID112698098
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
SMILESCSCCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4OS/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyORGNPRLKPZUNPS-UHFFFAOYSA-N
XLogP0.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
CID 78968249
CID 59369515
CID 59369515
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197
2-[2-[methyl(2H-triazole-4-carbonyl)amino]ethyl]benzoic acid
CID 104547013
4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892993
3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 112658989
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
CID 112733475

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide (CID 112698098) is N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide is CSCCN(C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide?
The InChIKey is ORGNPRLKPZUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide?
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112698098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).