ethane;1-ethyl-3-methyl-5,6-dihydroindazole

C12H20N2 — CID 144717222

IUPACethane;1-ethyl-3-methyl-5,6-dihydroindazole
SMILESCC.CCn1nc(C)c2c1=CCCC=2
InChIInChI=1S/C10H14N2.C2H6/c1-3-12-10-7-5-4-6-9(10)8(2)11-12;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyZWUMVERYCNBLIF-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.59
Rot. Bonds1

About ethane;1-ethyl-3-methyl-5,6-dihydroindazole

ethane;1-ethyl-3-methyl-5,6-dihydroindazole (PubChem CID 144717222) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;1-ethyl-3-methyl-5,6-dihydroindazole.

Molecular Properties

Compound Nameethane;1-ethyl-3-methyl-5,6-dihydroindazole
PubChem CID144717222
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;1-ethyl-3-methyl-5,6-dihydroindazole
SMILESCC.CCn1nc(C)c2c1=CCCC=2
InChIInChI=1S/C10H14N2.C2H6/c1-3-12-10-7-5-4-6-9(10)8(2)11-12;1-2/h6-7H,3-5H2,1-2H3;1-2H3
InChIKeyZWUMVERYCNBLIF-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methyl-5,6-dihydroindazole?
The IUPAC name of ethane;1-ethyl-3-methyl-5,6-dihydroindazole (CID 144717222) is ethane;1-ethyl-3-methyl-5,6-dihydroindazole.
What is the SMILES notation for ethane;1-ethyl-3-methyl-5,6-dihydroindazole?
The canonical SMILES for ethane;1-ethyl-3-methyl-5,6-dihydroindazole is CC.CCn1nc(C)c2c1=CCCC=2.
What is the InChIKey of ethane;1-ethyl-3-methyl-5,6-dihydroindazole?
The InChIKey is ZWUMVERYCNBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-3-12-10-7-5-4-6-9(10)8(2)11-12;1-2/h6-7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methyl-5,6-dihydroindazole?
ethane;1-ethyl-3-methyl-5,6-dihydroindazole has a molecular weight of 192.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methyl-5,6-dihydroindazole is sourced from PubChem (CID 144717222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).