(1H-indazol-7-ylamino) acetate

C9H9N3O2 — CID 171115209

IUPAC(1H-indazol-7-ylamino) acetate
SMILESCC(=O)ONc1cccc2cn[nH]c12
InChIInChI=1S/C9H9N3O2/c1-6(13)14-12-8-4-2-3-7-5-10-11-9(7)8/h2-5,12H,1H3,(H,10,11)
InChIKeyLIUDTQAYKCWYCI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.45
Rot. Bonds2

About (1H-indazol-7-ylamino) acetate

(1H-indazol-7-ylamino) acetate (PubChem CID 171115209) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (1H-indazol-7-ylamino) acetate.

Molecular Properties

Compound Name(1H-indazol-7-ylamino) acetate
PubChem CID171115209
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(1H-indazol-7-ylamino) acetate
SMILESCC(=O)ONc1cccc2cn[nH]c12
InChIInChI=1S/C9H9N3O2/c1-6(13)14-12-8-4-2-3-7-5-10-11-9(7)8/h2-5,12H,1H3,(H,10,11)
InChIKeyLIUDTQAYKCWYCI-UHFFFAOYSA-N
XLogP1.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1H-indazol-7-ylamino) acetate?
The IUPAC name of (1H-indazol-7-ylamino) acetate (CID 171115209) is (1H-indazol-7-ylamino) acetate.
What is the SMILES notation for (1H-indazol-7-ylamino) acetate?
The canonical SMILES for (1H-indazol-7-ylamino) acetate is CC(=O)ONc1cccc2cn[nH]c12.
What is the InChIKey of (1H-indazol-7-ylamino) acetate?
The InChIKey is LIUDTQAYKCWYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6(13)14-12-8-4-2-3-7-5-10-11-9(7)8/h2-5,12H,1H3,(H,10,11).
What are the key properties of (1H-indazol-7-ylamino) acetate?
(1H-indazol-7-ylamino) acetate has a molecular weight of 191.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-indazol-7-ylamino) acetate is sourced from PubChem (CID 171115209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).