4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C17H20N8OS — CID 32802287

IUPAC4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(-n2cnc(SCc3ccccc3)n2)n1
InChIInChI=1S/C17H20N8OS/c1-18-14-20-15(24-7-9-26-10-8-24)22-16(21-14)25-12-19-17(23-25)27-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,20,21,22)
InChIKeyOCXIDUIIIRHGBA-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.62
Rot. Bonds6

About 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 32802287) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID32802287
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(-n2cnc(SCc3ccccc3)n2)n1
InChIInChI=1S/C17H20N8OS/c1-18-14-20-15(24-7-9-26-10-8-24)22-16(21-14)25-12-19-17(23-25)27-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,20,21,22)
InChIKeyOCXIDUIIIRHGBA-UHFFFAOYSA-N
XLogP1.62
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872582
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
methyl 2-[[1-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802381
ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
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-[4-[(4-bromophenyl)methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 2982522
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
4-(2,2-difluoroethoxy)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82009481
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 32802287) is 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(N2CCOCC2)nc(-n2cnc(SCc3ccccc3)n2)n1.
What is the InChIKey of 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OCXIDUIIIRHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c1-18-14-20-15(24-7-9-26-10-8-24)22-16(21-14)25-12-19-17(23-25)27-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,18,20,21,22).
What are the key properties of 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 384.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 32802287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).