6-amino-2,3a-dihydroindazol-3-one;hydrochloride

C7H8ClN3O — CID 71628826

IUPAC6-amino-2,3a-dihydroindazol-3-one;hydrochloride
SMILESCl.NC1=CC2=NNC(=O)C2C=C1
InChIInChI=1S/C7H7N3O.ClH/c8-4-1-2-5-6(3-4)9-10-7(5)11;/h1-3,5H,8H2,(H,10,11);1H
InChIKeyPCFRIRNVGQTYFN-UHFFFAOYSA-N
MW185.61 g/mol
LogP-0.08
Rot. Bonds

About 6-amino-2,3a-dihydroindazol-3-one;hydrochloride

6-amino-2,3a-dihydroindazol-3-one;hydrochloride (PubChem CID 71628826) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 6-amino-2,3a-dihydroindazol-3-one;hydrochloride.

Molecular Properties

Compound Name6-amino-2,3a-dihydroindazol-3-one;hydrochloride
PubChem CID71628826
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name6-amino-2,3a-dihydroindazol-3-one;hydrochloride
SMILESCl.NC1=CC2=NNC(=O)C2C=C1
InChIInChI=1S/C7H7N3O.ClH/c8-4-1-2-5-6(3-4)9-10-7(5)11;/h1-3,5H,8H2,(H,10,11);1H
InChIKeyPCFRIRNVGQTYFN-UHFFFAOYSA-N
XLogP-0.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2,3a-dihydroindazol-3-one
CID 76848065
(3aS)-4,6-dibromo-2,3a-dihydroindazol-3-one
CID 86311164
2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one
CID 72745487
7-amino-4-tert-butyl-4aH-naphthalen-2-one
CID 126680899
6-bromo-4-methoxy-2,3a-dihydroindazol-3-one
CID 74316003
1,8a-dihydroquinolin-6-amine;ethane
CID 144947007
3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
CID 604685
6-amino-4a,8a-dihydro-1H-quinolin-2-one
CID 163515053
2-amino-3,7a-dihydrobenzimidazol-5-one
CID 23644106
N-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
CID 121227549
7-bromo-4aH-quinazolin-4-one
CID 71304026
6-amino-1,8a-dihydroquinolin-2-ol
CID 118861842

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3a-dihydroindazol-3-one;hydrochloride?
The IUPAC name of 6-amino-2,3a-dihydroindazol-3-one;hydrochloride (CID 71628826) is 6-amino-2,3a-dihydroindazol-3-one;hydrochloride.
What is the SMILES notation for 6-amino-2,3a-dihydroindazol-3-one;hydrochloride?
The canonical SMILES for 6-amino-2,3a-dihydroindazol-3-one;hydrochloride is Cl.NC1=CC2=NNC(=O)C2C=C1.
What is the InChIKey of 6-amino-2,3a-dihydroindazol-3-one;hydrochloride?
The InChIKey is PCFRIRNVGQTYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.ClH/c8-4-1-2-5-6(3-4)9-10-7(5)11;/h1-3,5H,8H2,(H,10,11);1H.
What are the key properties of 6-amino-2,3a-dihydroindazol-3-one;hydrochloride?
6-amino-2,3a-dihydroindazol-3-one;hydrochloride has a molecular weight of 185.61 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3a-dihydroindazol-3-one;hydrochloride is sourced from PubChem (CID 71628826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).