7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole

C15H18N2 — CID 12686517

IUPAC7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
SMILESCCc1cc2c(cc1CC)-c1[nH]ncc1CC2
InChIInChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRFTYQGPFGOCWPI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.30
Rot. Bonds2

About 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole

7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 12686517) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
PubChem CID12686517
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
SMILESCCc1cc2c(cc1CC)-c1[nH]ncc1CC2
InChIInChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRFTYQGPFGOCWPI-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole (CID 12686517) is 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole is CCc1cc2c(cc1CC)-c1[nH]ncc1CC2.
What is the InChIKey of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is RFTYQGPFGOCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 226.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 12686517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).