CID 178111479

C13H12N3OPb — CID 178111479

IUPAC—
SMILESN#CCc1cnn(-c2cccc(COC[Pb])c2)c1
InChIInChI=1S/C13H12N3O.Pb/c1-17-10-11-3-2-4-13(7-11)16-9-12(5-6-14)8-15-16;/h2-4,7-9H,1,5,10H2;
InChIKeyUCNPWHVLCKHAOE-UHFFFAOYSA-N
MW433.46 g/mol
LogP1.58
Rot. Bonds5

About CID 178111479

CID 178111479 (PubChem CID 178111479) has the molecular formula C13H12N3OPb and a molecular weight of 433.46 g/mol.

Molecular Properties

Compound NameCID 178111479
PubChem CID178111479
Molecular FormulaC13H12N3OPb
Molecular Weight433.46 g/mol
Exact Mass434.07
IUPAC Name—
SMILESN#CCc1cnn(-c2cccc(COC[Pb])c2)c1
InChIInChI=1S/C13H12N3O.Pb/c1-17-10-11-3-2-4-13(7-11)16-9-12(5-6-14)8-15-16;/h2-4,7-9H,1,5,10H2;
InChIKeyUCNPWHVLCKHAOE-UHFFFAOYSA-N
XLogP1.58
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 178111479?
The IUPAC name of CID 178111479 (CID 178111479) is not available.
What is the SMILES notation for CID 178111479?
The canonical SMILES for CID 178111479 is N#CCc1cnn(-c2cccc(COC[Pb])c2)c1.
What is the InChIKey of CID 178111479?
The InChIKey is UCNPWHVLCKHAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N3O.Pb/c1-17-10-11-3-2-4-13(7-11)16-9-12(5-6-14)8-15-16;/h2-4,7-9H,1,5,10H2;.
What are the key properties of CID 178111479?
CID 178111479 has a molecular weight of 433.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178111479 is sourced from PubChem (CID 178111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).