2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide

C15H24N6OS — CID 17021715

IUPAC2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCn1ccc(-c2nnc(SCC(=O)NCC(C)C)n2CC)n1
InChIInChI=1S/C15H24N6OS/c1-5-20-8-7-12(19-20)14-17-18-15(21(14)6-2)23-10-13(22)16-9-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,22)
InChIKeyTXLGIMQRZLNEPB-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.05
Rot. Bonds8

About 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide

2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 17021715) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID17021715
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCCn1ccc(-c2nnc(SCC(=O)NCC(C)C)n2CC)n1
InChIInChI=1S/C15H24N6OS/c1-5-20-8-7-12(19-20)14-17-18-15(21(14)6-2)23-10-13(22)16-9-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,22)
InChIKeyTXLGIMQRZLNEPB-UHFFFAOYSA-N
XLogP2.05
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide (CID 17021715) is 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide is CCn1ccc(-c2nnc(SCC(=O)NCC(C)C)n2CC)n1.
What is the InChIKey of 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is TXLGIMQRZLNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-5-20-8-7-12(19-20)14-17-18-15(21(14)6-2)23-10-13(22)16-9-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,22).
What are the key properties of 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide?
2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 336.47 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 17021715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).