(1-aminoindazol-5-yl) formate

C8H7N3O2 — CID 91476049

IUPAC(1-aminoindazol-5-yl) formate
SMILESNn1ncc2cc(OC=O)ccc21
InChIInChI=1S/C8H7N3O2/c9-11-8-2-1-7(13-5-12)3-6(8)4-10-11/h1-5H,9H2
InChIKeyLQJZPGWMGZANRY-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.29
Rot. Bonds2

About (1-aminoindazol-5-yl) formate

(1-aminoindazol-5-yl) formate (PubChem CID 91476049) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is (1-aminoindazol-5-yl) formate.

Molecular Properties

Compound Name(1-aminoindazol-5-yl) formate
PubChem CID91476049
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name(1-aminoindazol-5-yl) formate
SMILESNn1ncc2cc(OC=O)ccc21
InChIInChI=1S/C8H7N3O2/c9-11-8-2-1-7(13-5-12)3-6(8)4-10-11/h1-5H,9H2
InChIKeyLQJZPGWMGZANRY-UHFFFAOYSA-N
XLogP0.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-aminoindazol-5-yl) formate?
The IUPAC name of (1-aminoindazol-5-yl) formate (CID 91476049) is (1-aminoindazol-5-yl) formate.
What is the SMILES notation for (1-aminoindazol-5-yl) formate?
The canonical SMILES for (1-aminoindazol-5-yl) formate is Nn1ncc2cc(OC=O)ccc21.
What is the InChIKey of (1-aminoindazol-5-yl) formate?
The InChIKey is LQJZPGWMGZANRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-11-8-2-1-7(13-5-12)3-6(8)4-10-11/h1-5H,9H2.
What are the key properties of (1-aminoindazol-5-yl) formate?
(1-aminoindazol-5-yl) formate has a molecular weight of 177.16 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminoindazol-5-yl) formate is sourced from PubChem (CID 91476049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).