CID 56976318

C7H5N4+ — CID 56976318

IUPAC—
SMILES[C+]1=NN(c2ccccc2)N=N1
InChIInChI=1S/C7H5N4/c1-2-4-7(5-3-1)11-9-6-8-10-11/h1-5H/q+1
InChIKeyJTGIMLDLIAWOKA-UHFFFAOYSA-N
MW145.14 g/mol
LogP1.69
Rot. Bonds1

About CID 56976318

CID 56976318 (PubChem CID 56976318) has the molecular formula C7H5N4+ and a molecular weight of 145.14 g/mol.

Molecular Properties

Compound NameCID 56976318
PubChem CID56976318
Molecular FormulaC7H5N4+
Molecular Weight145.14 g/mol
Exact Mass145.05
IUPAC Name—
SMILES[C+]1=NN(c2ccccc2)N=N1
InChIInChI=1S/C7H5N4/c1-2-4-7(5-3-1)11-9-6-8-10-11/h1-5H/q+1
InChIKeyJTGIMLDLIAWOKA-UHFFFAOYSA-N
XLogP1.69
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 56976318?
The IUPAC name of CID 56976318 (CID 56976318) is not available.
What is the SMILES notation for CID 56976318?
The canonical SMILES for CID 56976318 is [C+]1=NN(c2ccccc2)N=N1.
What is the InChIKey of CID 56976318?
The InChIKey is JTGIMLDLIAWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N4/c1-2-4-7(5-3-1)11-9-6-8-10-11/h1-5H/q+1.
What are the key properties of CID 56976318?
CID 56976318 has a molecular weight of 145.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56976318 is sourced from PubChem (CID 56976318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).