(3-aminoindazol-1-yl) formate

C8H7N3O2 — CID 67249972

IUPAC(3-aminoindazol-1-yl) formate
SMILESNc1nn(OC=O)c2ccccc12
InChIInChI=1S/C8H7N3O2/c9-8-6-3-1-2-4-7(6)11(10-8)13-5-12/h1-5H,(H2,9,10)
InChIKeyVTFFDZGXDPOYPX-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.20
Rot. Bonds2

About (3-aminoindazol-1-yl) formate

(3-aminoindazol-1-yl) formate (PubChem CID 67249972) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is (3-aminoindazol-1-yl) formate.

Molecular Properties

Compound Name(3-aminoindazol-1-yl) formate
PubChem CID67249972
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name(3-aminoindazol-1-yl) formate
SMILESNc1nn(OC=O)c2ccccc12
InChIInChI=1S/C8H7N3O2/c9-8-6-3-1-2-4-7(6)11(10-8)13-5-12/h1-5H,(H2,9,10)
InChIKeyVTFFDZGXDPOYPX-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
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 (3-aminoindazol-1-yl) formate?
The IUPAC name of (3-aminoindazol-1-yl) formate (CID 67249972) is (3-aminoindazol-1-yl) formate.
What is the SMILES notation for (3-aminoindazol-1-yl) formate?
The canonical SMILES for (3-aminoindazol-1-yl) formate is Nc1nn(OC=O)c2ccccc12.
What is the InChIKey of (3-aminoindazol-1-yl) formate?
The InChIKey is VTFFDZGXDPOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8-6-3-1-2-4-7(6)11(10-8)13-5-12/h1-5H,(H2,9,10).
What are the key properties of (3-aminoindazol-1-yl) formate?
(3-aminoindazol-1-yl) formate has a molecular weight of 177.16 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindazol-1-yl) formate is sourced from PubChem (CID 67249972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).