5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride

C8H17ClN2 — CID 170905820

IUPAC5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
SMILESCC1CCC2NNCC2C1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-6-2-3-8-7(4-6)5-9-10-8;/h6-10H,2-5H2,1H3;1H
InChIKeyDTUNZAMNBPUJAX-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.32
Rot. Bonds

About 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride

5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride (PubChem CID 170905820) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
PubChem CID170905820
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
SMILESCC1CCC2NNCC2C1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-6-2-3-8-7(4-6)5-9-10-8;/h6-10H,2-5H2,1H3;1H
InChIKeyDTUNZAMNBPUJAX-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride?
The IUPAC name of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride (CID 170905820) is 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride.
What is the SMILES notation for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride?
The canonical SMILES for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride is CC1CCC2NNCC2C1.Cl.
What is the InChIKey of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride?
The InChIKey is DTUNZAMNBPUJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-6-2-3-8-7(4-6)5-9-10-8;/h6-10H,2-5H2,1H3;1H.
What are the key properties of 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride?
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride is sourced from PubChem (CID 170905820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).