1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole

C12H14N2S — CID 10176799

IUPAC1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole
SMILESCc1sc(C)c2c1CCc1cnn(C)c1-2
InChIInChI=1S/C12H14N2S/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7/h6H,4-5H2,1-3H3
InChIKeyMPRZCISVIKBQND-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.86
Rot. Bonds

About 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole

1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole (PubChem CID 10176799) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole.

Molecular Properties

Compound Name1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole
PubChem CID10176799
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole
SMILESCc1sc(C)c2c1CCc1cnn(C)c1-2
InChIInChI=1S/C12H14N2S/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7/h6H,4-5H2,1-3H3
InChIKeyMPRZCISVIKBQND-UHFFFAOYSA-N
XLogP2.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole?
The IUPAC name of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole (CID 10176799) is 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole.
What is the SMILES notation for 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole?
The canonical SMILES for 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole is Cc1sc(C)c2c1CCc1cnn(C)c1-2.
What is the InChIKey of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole?
The InChIKey is MPRZCISVIKBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7/h6H,4-5H2,1-3H3.
What are the key properties of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole?
1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole has a molecular weight of 218.32 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole is sourced from PubChem (CID 10176799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).