8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole

C12H12N4OS — CID 649707

IUPAC8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
SMILESCOc1ccc2c(c1)c1nnc(SC)nc1n2C
InChIInChI=1S/C12H12N4OS/c1-16-9-5-4-7(17-2)6-8(9)10-11(16)13-12(18-3)15-14-10/h4-6H,1-3H3
InChIKeyPPFWHBXTJRKOJU-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.25
Rot. Bonds2

About 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole

8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 649707) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
PubChem CID649707
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole
SMILESCOc1ccc2c(c1)c1nnc(SC)nc1n2C
InChIInChI=1S/C12H12N4OS/c1-16-9-5-4-7(17-2)6-8(9)10-11(16)13-12(18-3)15-14-10/h4-6H,1-3H3
InChIKeyPPFWHBXTJRKOJU-UHFFFAOYSA-N
XLogP2.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole (CID 649707) is 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole is COc1ccc2c(c1)c1nnc(SC)nc1n2C.
What is the InChIKey of 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is PPFWHBXTJRKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-16-9-5-4-7(17-2)6-8(9)10-11(16)13-12(18-3)15-14-10/h4-6H,1-3H3.
What are the key properties of 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole?
8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 260.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-3-methylsulfanyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 649707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).