CID 87584548

C6H5N3Pb — CID 87584548

IUPAC—
SMILES[Pb].c1ncc2cc[nH]c2n1
InChIInChI=1S/C6H5N3.Pb/c1-2-8-6-5(1)3-7-4-9-6;/h1-4H,(H,7,8,9);
InChIKeyZJWULYBFKHRLAJ-UHFFFAOYSA-N
MW326.33 g/mol
LogP0.58
Rot. Bonds

About CID 87584548

CID 87584548 (PubChem CID 87584548) has the molecular formula C6H5N3Pb and a molecular weight of 326.33 g/mol.

Molecular Properties

Compound NameCID 87584548
PubChem CID87584548
Molecular FormulaC6H5N3Pb
Molecular Weight326.33 g/mol
Exact Mass327.02
IUPAC Name—
SMILES[Pb].c1ncc2cc[nH]c2n1
InChIInChI=1S/C6H5N3.Pb/c1-2-8-6-5(1)3-7-4-9-6;/h1-4H,(H,7,8,9);
InChIKeyZJWULYBFKHRLAJ-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87584548?
The IUPAC name of CID 87584548 (CID 87584548) is not available.
What is the SMILES notation for CID 87584548?
The canonical SMILES for CID 87584548 is [Pb].c1ncc2cc[nH]c2n1.
What is the InChIKey of CID 87584548?
The InChIKey is ZJWULYBFKHRLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.Pb/c1-2-8-6-5(1)3-7-4-9-6;/h1-4H,(H,7,8,9);.
What are the key properties of CID 87584548?
CID 87584548 has a molecular weight of 326.33 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87584548 is sourced from PubChem (CID 87584548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).