2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C9H16N6OS — CID 6949428

IUPAC2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(NCC)nc(SCC(N)=O)n1
InChIInChI=1S/C9H16N6OS/c1-3-11-7-13-8(12-4-2)15-9(14-7)17-5-6(10)16/h3-5H2,1-2H3,(H2,10,16)(H2,11,12,13,14,15)
InChIKeyBQSLQLZCZGEBHD-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.31
Rot. Bonds7

About 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 6949428) has the molecular formula C9H16N6OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID6949428
Molecular FormulaC9H16N6OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(NCC)nc(SCC(N)=O)n1
InChIInChI=1S/C9H16N6OS/c1-3-11-7-13-8(12-4-2)15-9(14-7)17-5-6(10)16/h3-5H2,1-2H3,(H2,10,16)(H2,11,12,13,14,15)
InChIKeyBQSLQLZCZGEBHD-UHFFFAOYSA-N
XLogP0.31
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 6949428) is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(NCC)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is BQSLQLZCZGEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6OS/c1-3-11-7-13-8(12-4-2)15-9(14-7)17-5-6(10)16/h3-5H2,1-2H3,(H2,10,16)(H2,11,12,13,14,15).
What are the key properties of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 6949428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).