cinnolin-2-amine

C8H7N3 — CID 101217485

IUPACcinnolin-2-amine
SMILESNN1C=C=c2ccccc2=N1
InChIInChI=1S/C8H7N3/c9-11-6-5-7-3-1-2-4-8(7)10-11/h1-4,6H,9H2
InChIKeyJZITXWUDQIXVDD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.70
Rot. Bonds

About cinnolin-2-amine

cinnolin-2-amine (PubChem CID 101217485) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cinnolin-2-amine.

Molecular Properties

Compound Namecinnolin-2-amine
PubChem CID101217485
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Namecinnolin-2-amine
SMILESNN1C=C=c2ccccc2=N1
InChIInChI=1S/C8H7N3/c9-11-6-5-7-3-1-2-4-8(7)10-11/h1-4,6H,9H2
InChIKeyJZITXWUDQIXVDD-UHFFFAOYSA-N
XLogP-0.70
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cinnolin-2-amine 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 cinnolin-2-amine?
The IUPAC name of cinnolin-2-amine (CID 101217485) is cinnolin-2-amine.
What is the SMILES notation for cinnolin-2-amine?
The canonical SMILES for cinnolin-2-amine is NN1C=C=c2ccccc2=N1.
What is the InChIKey of cinnolin-2-amine?
The InChIKey is JZITXWUDQIXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-11-6-5-7-3-1-2-4-8(7)10-11/h1-4,6H,9H2.
What are the key properties of cinnolin-2-amine?
cinnolin-2-amine has a molecular weight of 145.16 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-2-amine is sourced from PubChem (CID 101217485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).