2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide

C13H17N5OS — CID 114387699

IUPAC2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide
SMILESCCc1nnc(NC(=O)C(N)c2cccs2)nc1CC
InChIInChI=1S/C13H17N5OS/c1-3-8-9(4-2)17-18-13(15-8)16-12(19)11(14)10-6-5-7-20-10/h5-7,11H,3-4,14H2,1-2H3,(H,15,16,18,19)
InChIKeyDFCNJGROCVBXSD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 114387699) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide
PubChem CID114387699
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide
SMILESCCc1nnc(NC(=O)C(N)c2cccs2)nc1CC
InChIInChI=1S/C13H17N5OS/c1-3-8-9(4-2)17-18-13(15-8)16-12(19)11(14)10-6-5-7-20-10/h5-7,11H,3-4,14H2,1-2H3,(H,15,16,18,19)
InChIKeyDFCNJGROCVBXSD-UHFFFAOYSA-N
XLogP1.70
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide (CID 114387699) is 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide is CCc1nnc(NC(=O)C(N)c2cccs2)nc1CC.
What is the InChIKey of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is DFCNJGROCVBXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-8-9(4-2)17-18-13(15-8)16-12(19)11(14)10-6-5-7-20-10/h5-7,11H,3-4,14H2,1-2H3,(H,15,16,18,19).
What are the key properties of 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 114387699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).