methyl 6-amino-1H-indazole-7-carboxylate

C9H9N3O2 — CID 12637848

IUPACmethyl 6-amino-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(N)ccc2cn[nH]c12
InChIInChI=1S/C9H9N3O2/c1-14-9(13)7-6(10)3-2-5-4-11-12-8(5)7/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQHEAFURFKCHXJW-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.93
Rot. Bonds1

About methyl 6-amino-1H-indazole-7-carboxylate

methyl 6-amino-1H-indazole-7-carboxylate (PubChem CID 12637848) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 6-amino-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-1H-indazole-7-carboxylate
PubChem CID12637848
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 6-amino-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(N)ccc2cn[nH]c12
InChIInChI=1S/C9H9N3O2/c1-14-9(13)7-6(10)3-2-5-4-11-12-8(5)7/h2-4H,10H2,1H3,(H,11,12)
InChIKeyQHEAFURFKCHXJW-UHFFFAOYSA-N
XLogP0.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-1H-indazole-7-carboxylate?
The IUPAC name of methyl 6-amino-1H-indazole-7-carboxylate (CID 12637848) is methyl 6-amino-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 6-amino-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 6-amino-1H-indazole-7-carboxylate is COC(=O)c1c(N)ccc2cn[nH]c12.
What is the InChIKey of methyl 6-amino-1H-indazole-7-carboxylate?
The InChIKey is QHEAFURFKCHXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)7-6(10)3-2-5-4-11-12-8(5)7/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of methyl 6-amino-1H-indazole-7-carboxylate?
methyl 6-amino-1H-indazole-7-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-1H-indazole-7-carboxylate is sourced from PubChem (CID 12637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).