3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole

C12H20N2 — CID 123750733

IUPAC3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
SMILESCCc1nn(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3
InChIKeyVLEVGFLEWIGADN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.50
Rot. Bonds1

About 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole

3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole (PubChem CID 123750733) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole.

Molecular Properties

Compound Name3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
PubChem CID123750733
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
SMILESCCc1nn(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3
InChIKeyVLEVGFLEWIGADN-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The IUPAC name of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole (CID 123750733) is 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole.
What is the SMILES notation for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The canonical SMILES for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole is CCc1nn(C)c2c1CCC(C)(C)C2.
What is the InChIKey of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The InChIKey is VLEVGFLEWIGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole has a molecular weight of 192.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole is sourced from PubChem (CID 123750733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).