7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

C8H8N6S — CID 15618575

IUPAC7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCSc1nnc2n1c(C)cc1nncn12
InChIInChI=1S/C8H8N6S/c1-5-3-6-10-9-4-13(6)7-11-12-8(15-2)14(5)7/h3-4H,1-2H3
InChIKeyVFSKMNCNWMXFLI-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.80
Rot. Bonds1

About 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 15618575) has the molecular formula C8H8N6S and a molecular weight of 220.26 g/mol. Its IUPAC name is 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID15618575
Molecular FormulaC8H8N6S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCSc1nnc2n1c(C)cc1nncn12
InChIInChI=1S/C8H8N6S/c1-5-3-6-10-9-4-13(6)7-11-12-8(15-2)14(5)7/h3-4H,1-2H3
InChIKeyVFSKMNCNWMXFLI-UHFFFAOYSA-N
XLogP0.80
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene with MolForge

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Related Compounds

5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
CID 336207
7-Methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 15618573
N,N-diethyl-12-methylsulfanyl-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-amine
CID 101615740
N,N-dibutyl-12-methylsulfanyl-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-amine
CID 101615741
12-methylsulfanyl-N,N-di(propan-2-yl)-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-amine
CID 101615742
12-Methylsulfanyl-7-piperidin-1-yl-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 101615743
N,N-bis(2-methylpropyl)-12-methylsulfanyl-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-amine
CID 101615744

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 15618575) is 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is CSc1nnc2n1c(C)cc1nncn12.
What is the InChIKey of 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is VFSKMNCNWMXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S/c1-5-3-6-10-9-4-13(6)7-11-12-8(15-2)14(5)7/h3-4H,1-2H3.
What are the key properties of 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 220.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 15618575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).