1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride

C8H11ClN2O — CID 167742135

IUPAC1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride
SMILESCl.Cn1ncc2c1CC(=O)CC2
InChIInChI=1S/C8H10N2O.ClH/c1-10-8-4-7(11)3-2-6(8)5-9-10;/h5H,2-4H2,1H3;1H
InChIKeyAUXBJIDACPFERN-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.90
Rot. Bonds

About 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride

1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride (PubChem CID 167742135) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride
PubChem CID167742135
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride
SMILESCl.Cn1ncc2c1CC(=O)CC2
InChIInChI=1S/C8H10N2O.ClH/c1-10-8-4-7(11)3-2-6(8)5-9-10;/h5H,2-4H2,1H3;1H
InChIKeyAUXBJIDACPFERN-UHFFFAOYSA-N
XLogP0.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride?
The IUPAC name of 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride (CID 167742135) is 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride.
What is the SMILES notation for 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride?
The canonical SMILES for 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride is Cl.Cn1ncc2c1CC(=O)CC2.
What is the InChIKey of 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride?
The InChIKey is AUXBJIDACPFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c1-10-8-4-7(11)3-2-6(8)5-9-10;/h5H,2-4H2,1H3;1H.
What are the key properties of 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride?
1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,7-dihydro-4H-indazol-6-one;hydrochloride is sourced from PubChem (CID 167742135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).