(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium

C8H9N4O2+ — CID 89329542

IUPAC(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C8H9N4O2/c1-14-12(13)5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)/q+1
InChIKeyPNTBECFDFWJHKL-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.12
Rot. Bonds2

About (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium

(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium (PubChem CID 89329542) has the molecular formula C8H9N4O2+ and a molecular weight of 193.19 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium
PubChem CID89329542
Molecular FormulaC8H9N4O2+
Molecular Weight193.19 g/mol
Exact Mass193.07
IUPAC Name(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc2[nH]nc(N)c2c1
InChIInChI=1S/C8H9N4O2/c1-14-12(13)5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)/q+1
InChIKeyPNTBECFDFWJHKL-UHFFFAOYSA-N
XLogP1.12
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium?
The IUPAC name of (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium (CID 89329542) is (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium is CO[N+](=O)c1ccc2[nH]nc(N)c2c1.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium?
The InChIKey is PNTBECFDFWJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4O2/c1-14-12(13)5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H3,9,10,11)/q+1.
What are the key properties of (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium?
(3-amino-1H-indazol-5-yl)-methoxy-oxoazanium has a molecular weight of 193.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-5-yl)-methoxy-oxoazanium is sourced from PubChem (CID 89329542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).