N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C7H12N4OS — CID 5092089

IUPACN,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nncn1C
InChIInChI=1S/C7H12N4OS/c1-10(2)6(12)4-13-7-9-8-5-11(7)3/h5H,4H2,1-3H3
InChIKeyMHGZNLLYNVZMLU-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.00
Rot. Bonds3

About N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 5092089) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID5092089
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nncn1C
InChIInChI=1S/C7H12N4OS/c1-10(2)6(12)4-13-7-9-8-5-11(7)3/h5H,4H2,1-3H3
InChIKeyMHGZNLLYNVZMLU-UHFFFAOYSA-N
XLogP-0.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 5092089) is N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)C(=O)CSc1nncn1C.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MHGZNLLYNVZMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-10(2)6(12)4-13-7-9-8-5-11(7)3/h5H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 200.27 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 5092089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).