CID 87453078

C7H5N3OPb — CID 87453078

IUPAC—
SMILESO=c1ncc2ncccc2[nH]1.[Pb]
InChIInChI=1S/C7H5N3O.Pb/c11-7-9-4-6-5(10-7)2-1-3-8-6;/h1-4H,(H,9,10,11);
InChIKeyKEAGTQGZEDQWTP-UHFFFAOYSA-N
MW354.34 g/mol
LogP-0.06
Rot. Bonds

About CID 87453078

CID 87453078 (PubChem CID 87453078) has the molecular formula C7H5N3OPb and a molecular weight of 354.34 g/mol.

Molecular Properties

Compound NameCID 87453078
PubChem CID87453078
Molecular FormulaC7H5N3OPb
Molecular Weight354.34 g/mol
Exact Mass355.02
IUPAC Name—
SMILESO=c1ncc2ncccc2[nH]1.[Pb]
InChIInChI=1S/C7H5N3O.Pb/c11-7-9-4-6-5(10-7)2-1-3-8-6;/h1-4H,(H,9,10,11);
InChIKeyKEAGTQGZEDQWTP-UHFFFAOYSA-N
XLogP-0.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 87453078?
The IUPAC name of CID 87453078 (CID 87453078) is not available.
What is the SMILES notation for CID 87453078?
The canonical SMILES for CID 87453078 is O=c1ncc2ncccc2[nH]1.[Pb].
What is the InChIKey of CID 87453078?
The InChIKey is KEAGTQGZEDQWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.Pb/c11-7-9-4-6-5(10-7)2-1-3-8-6;/h1-4H,(H,9,10,11);.
What are the key properties of CID 87453078?
CID 87453078 has a molecular weight of 354.34 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87453078 is sourced from PubChem (CID 87453078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).