2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide

C19H24N10O2S — CID 55865345

IUPAC2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(N4CCNC4=O)c3)nnc2n1
InChIInChI=1S/C19H24N10O2S/c1-3-20-15-24-16(21-4-2)29-17(25-15)26-27-19(29)32-11-14(30)23-12-6-5-7-13(10-12)28-9-8-22-18(28)31/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,22,31)(H,23,30)(H2,20,21,24,25,26)
InChIKeyUYRMAMBEXAZIDI-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.64
Rot. Bonds9

About 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide

2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide (PubChem CID 55865345) has the molecular formula C19H24N10O2S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
PubChem CID55865345
Molecular FormulaC19H24N10O2S
Molecular Weight456.54 g/mol
Exact Mass456.18
IUPAC Name2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(N4CCNC4=O)c3)nnc2n1
InChIInChI=1S/C19H24N10O2S/c1-3-20-15-24-16(21-4-2)29-17(25-15)26-27-19(29)32-11-14(30)23-12-6-5-7-13(10-12)28-9-8-22-18(28)31/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,22,31)(H,23,30)(H2,20,21,24,25,26)
InChIKeyUYRMAMBEXAZIDI-UHFFFAOYSA-N
XLogP1.64
TPSA141.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_65_B(2)', 'substructure': 'N/A'}

Analyze 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide with MolForge

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Related Compounds

dimethyl 5-[[2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 55317659
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 7287263
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 7287260
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-naphthalen-1-ylethanone
CID 7522034
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 55498715
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(3-bromophenyl)ethanone
CID 18575196
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 7521963
2-[[5,7-bis(propan-2-ylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 34638752
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55912047
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 55945185
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953

Frequently Asked Questions

What is the IUPAC name of 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide (CID 55865345) is 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide is CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(N4CCNC4=O)c3)nnc2n1.
What is the InChIKey of 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The InChIKey is UYRMAMBEXAZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N10O2S/c1-3-20-15-24-16(21-4-2)29-17(25-15)26-27-19(29)32-11-14(30)23-12-6-5-7-13(10-12)28-9-8-22-18(28)31/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,22,31)(H,23,30)(H2,20,21,24,25,26).
What are the key properties of 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 1.64, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 55865345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).