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

C12H15ClN2S — CID 10198963

IUPAC1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride
SMILESCc1sc(C)c2c1CCc1cnn(C)c1-2.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7;/h6H,4-5H2,1-3H3;1H
InChIKeyIKFXJPIMVXELIJ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.29
Rot. Bonds

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

1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride (PubChem CID 10198963) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride.

Molecular Properties

Compound Name1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride
PubChem CID10198963
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride
SMILESCc1sc(C)c2c1CCc1cnn(C)c1-2.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7;/h6H,4-5H2,1-3H3;1H
InChIKeyIKFXJPIMVXELIJ-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.29
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;hydrochloride?
The IUPAC name of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride (CID 10198963) is 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride.
What is the SMILES notation for 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride?
The canonical SMILES for 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride is Cc1sc(C)c2c1CCc1cnn(C)c1-2.Cl.
What is the InChIKey of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride?
The InChIKey is IKFXJPIMVXELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.ClH/c1-7-10-5-4-9-6-13-14(3)12(9)11(10)8(2)15-7;/h6H,4-5H2,1-3H3;1H.
What are the key properties of 1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride?
1,6,8-trimethyl-4,5-dihydrothieno[3,4-g]indazole;hydrochloride has a molecular weight of 254.79 g/mol, XLogP of 3.29, 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;hydrochloride is sourced from PubChem (CID 10198963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).