2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C10H14N8O2S — CID 20894991

IUPAC2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1
InChIInChI=1S/C10H14N8O2S/c1-17(2)7-13-8(15-9(14-7)20-3)18-5-12-10(16-18)21-4-6(11)19/h5H,4H2,1-3H3,(H2,11,19)
InChIKeyDLBCAJUMLQNSMV-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.90
Rot. Bonds6

About 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 20894991) has the molecular formula C10H14N8O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID20894991
Molecular FormulaC10H14N8O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1
InChIInChI=1S/C10H14N8O2S/c1-17(2)7-13-8(15-9(14-7)20-3)18-5-12-10(16-18)21-4-6(11)19/h5H,4H2,1-3H3,(H2,11,19)
InChIKeyDLBCAJUMLQNSMV-UHFFFAOYSA-N
XLogP-0.90
TPSA124.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802496
methyl 2-[[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802389
4-methoxy-N,N-dimethyl-6-[3-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine
CID 35119955
methyl 2-[[1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20894983
2-[[1-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802515
methyl 2-[[1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802326
4-(azepan-1-yl)-6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 32802312
4-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-N,N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 39841788
ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 2992390
ethyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802418
2-N-butan-2-yl-4-N,4-N-dimethyl-6-[3-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 45133338

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 20894991) is 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1.
What is the InChIKey of 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is DLBCAJUMLQNSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8O2S/c1-17(2)7-13-8(15-9(14-7)20-3)18-5-12-10(16-18)21-4-6(11)19/h5H,4H2,1-3H3,(H2,11,19).
What are the key properties of 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 310.34 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 20894991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).