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

C13H21N9OS — CID 32802496

IUPAC2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1
InChIInChI=1S/C13H21N9OS/c1-5-21(6-2)11-16-10(20(3)4)17-12(18-11)22-8-15-13(19-22)24-7-9(14)23/h8H,5-7H2,1-4H3,(H2,14,23)
InChIKeyJOTCOAXHCKIEBW-UHFFFAOYSA-N
MW351.44 g/mol
LogP-0.06
Rot. Bonds8

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

2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 32802496) has the molecular formula C13H21N9OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID32802496
Molecular FormulaC13H21N9OS
Molecular Weight351.44 g/mol
Exact Mass351.16
IUPAC Name2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1
InChIInChI=1S/C13H21N9OS/c1-5-21(6-2)11-16-10(20(3)4)17-12(18-11)22-8-15-13(19-22)24-7-9(14)23/h8H,5-7H2,1-4H3,(H2,14,23)
InChIKeyJOTCOAXHCKIEBW-UHFFFAOYSA-N
XLogP-0.06
TPSA118.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-[[1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 20894991
methyl 2-[[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802389
2-[[1-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802515
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
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
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
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 114235285
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-N-[(2S)-butan-2-yl]-6-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 39841738
2-[[4-(dimethylamino)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 2992390

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 32802496) is 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCN(CC)c1nc(N(C)C)nc(-n2cnc(SCC(N)=O)n2)n1.
What is the InChIKey of 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JOTCOAXHCKIEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N9OS/c1-5-21(6-2)11-16-10(20(3)4)17-12(18-11)22-8-15-13(19-22)24-7-9(14)23/h8H,5-7H2,1-4H3,(H2,14,23).
What are the key properties of 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 351.44 g/mol, XLogP of -0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 32802496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).