2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

C10H18N4OS — CID 655295

IUPAC2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCCn1c(SCC(=O)NC)nnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-5-14-9(7(2)3)12-13-10(14)16-6-8(15)11-4/h7H,5-6H2,1-4H3,(H,11,15)
InChIKeyOGHNTYPQCBDZDJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.26
Rot. Bonds5

About 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide

2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (PubChem CID 655295) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
PubChem CID655295
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
SMILESCCn1c(SCC(=O)NC)nnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-5-14-9(7(2)3)12-13-10(14)16-6-8(15)11-4/h7H,5-6H2,1-4H3,(H,11,15)
InChIKeyOGHNTYPQCBDZDJ-UHFFFAOYSA-N
XLogP1.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide (CID 655295) is 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is CCn1c(SCC(=O)NC)nnc1C(C)C.
What is the InChIKey of 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
The InChIKey is OGHNTYPQCBDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-14-9(7(2)3)12-13-10(14)16-6-8(15)11-4/h7H,5-6H2,1-4H3,(H,11,15).
What are the key properties of 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide?
2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide has a molecular weight of 242.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 655295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).