ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole

C12H24N2 — CID 144881804

IUPACethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
SMILESCC.CN1C=C2CC(C)(C)CCC2N1
InChIInChI=1S/C10H18N2.C2H6/c1-10(2)5-4-9-8(6-10)7-12(3)11-9;1-2/h7,9,11H,4-6H2,1-3H3;1-2H3
InChIKeyFVEPUVDHMMBHPX-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.93
Rot. Bonds

About ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole

ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole (PubChem CID 144881804) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Nameethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
PubChem CID144881804
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
SMILESCC.CN1C=C2CC(C)(C)CCC2N1
InChIInChI=1S/C10H18N2.C2H6/c1-10(2)5-4-9-8(6-10)7-12(3)11-9;1-2/h7,9,11H,4-6H2,1-3H3;1-2H3
InChIKeyFVEPUVDHMMBHPX-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The IUPAC name of ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole (CID 144881804) is ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole.
What is the SMILES notation for ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The canonical SMILES for ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole is CC.CN1C=C2CC(C)(C)CCC2N1.
What is the InChIKey of ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
The InChIKey is FVEPUVDHMMBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-10(2)5-4-9-8(6-10)7-12(3)11-9;1-2/h7,9,11H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole?
ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole has a molecular weight of 196.34 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 144881804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).