indazolo[3,2-c][1,2,4]benzotriazin-2-amine

C13H9N5 — CID 89229338

IUPACindazolo[3,2-c][1,2,4]benzotriazin-2-amine
SMILESNc1ccc2nnc3c4ccccc4nn3c2c1
InChIInChI=1S/C13H9N5/c14-8-5-6-11-12(7-8)18-13(16-15-11)9-3-1-2-4-10(9)17-18/h1-7H,14H2
InChIKeyOZQDQVUHLAZYLE-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.01
Rot. Bonds

About indazolo[3,2-c][1,2,4]benzotriazin-2-amine

indazolo[3,2-c][1,2,4]benzotriazin-2-amine (PubChem CID 89229338) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is indazolo[3,2-c][1,2,4]benzotriazin-2-amine.

Molecular Properties

Compound Nameindazolo[3,2-c][1,2,4]benzotriazin-2-amine
PubChem CID89229338
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Nameindazolo[3,2-c][1,2,4]benzotriazin-2-amine
SMILESNc1ccc2nnc3c4ccccc4nn3c2c1
InChIInChI=1S/C13H9N5/c14-8-5-6-11-12(7-8)18-13(16-15-11)9-3-1-2-4-10(9)17-18/h1-7H,14H2
InChIKeyOZQDQVUHLAZYLE-UHFFFAOYSA-N
XLogP2.01
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indazolo[3,2-c][1,2,4]benzotriazin-2-amine?
The IUPAC name of indazolo[3,2-c][1,2,4]benzotriazin-2-amine (CID 89229338) is indazolo[3,2-c][1,2,4]benzotriazin-2-amine.
What is the SMILES notation for indazolo[3,2-c][1,2,4]benzotriazin-2-amine?
The canonical SMILES for indazolo[3,2-c][1,2,4]benzotriazin-2-amine is Nc1ccc2nnc3c4ccccc4nn3c2c1.
What is the InChIKey of indazolo[3,2-c][1,2,4]benzotriazin-2-amine?
The InChIKey is OZQDQVUHLAZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-8-5-6-11-12(7-8)18-13(16-15-11)9-3-1-2-4-10(9)17-18/h1-7H,14H2.
What are the key properties of indazolo[3,2-c][1,2,4]benzotriazin-2-amine?
indazolo[3,2-c][1,2,4]benzotriazin-2-amine has a molecular weight of 235.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indazolo[3,2-c][1,2,4]benzotriazin-2-amine is sourced from PubChem (CID 89229338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).