CID 68514783

C6H5N3 — CID 68514783

IUPAC—
SMILES[N-]=[N+]=N.c1cc2ccc1-2
InChIInChI=1S/C6H4.HN3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1H
InChIKeyJZDSUMFNAYLNNX-UHFFFAOYSA-N
MW119.13 g/mol
LogP2.54
Rot. Bonds

About CID 68514783

CID 68514783 (PubChem CID 68514783) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol.

Molecular Properties

Compound NameCID 68514783
PubChem CID68514783
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name—
SMILES[N-]=[N+]=N.c1cc2ccc1-2
InChIInChI=1S/C6H4.HN3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1H
InChIKeyJZDSUMFNAYLNNX-UHFFFAOYSA-N
XLogP2.54
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze CID 68514783 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 CID 68514783?
The IUPAC name of CID 68514783 (CID 68514783) is not available.
What is the SMILES notation for CID 68514783?
The canonical SMILES for CID 68514783 is [N-]=[N+]=N.c1cc2ccc1-2.
What is the InChIKey of CID 68514783?
The InChIKey is JZDSUMFNAYLNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.HN3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;1H.
What are the key properties of CID 68514783?
CID 68514783 has a molecular weight of 119.13 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68514783 is sourced from PubChem (CID 68514783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).