2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H17N5O2S — CID 6401476

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2cc(C)on2)nc1CC
InChIInChI=1S/C13H17N5O2S/c1-4-9-10(5-2)16-17-13(14-9)21-7-12(19)15-11-6-8(3)20-18-11/h6H,4-5,7H2,1-3H3,(H,15,18,19)
InChIKeyOTGMHMPUPLSRIP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 6401476) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID6401476
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2cc(C)on2)nc1CC
InChIInChI=1S/C13H17N5O2S/c1-4-9-10(5-2)16-17-13(14-9)21-7-12(19)15-11-6-8(3)20-18-11/h6H,4-5,7H2,1-3H3,(H,15,18,19)
InChIKeyOTGMHMPUPLSRIP-UHFFFAOYSA-N
XLogP2.02
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 6401476) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1nnc(SCC(=O)Nc2cc(C)on2)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OTGMHMPUPLSRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-4-9-10(5-2)16-17-13(14-9)21-7-12(19)15-11-6-8(3)20-18-11/h6H,4-5,7H2,1-3H3,(H,15,18,19).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 6401476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).