CID 101040268

C25H20N4PbS- — CID 101040268

IUPAC—
SMILES[Pb].[S-]c1nnnn1-c1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C7H6N4S.3C6H5.Pb/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,10,12);3*1-5H;/p-1
InChIKeyHHDRIIRCRYCIRU-UHFFFAOYSA-M
MW615.73 g/mol
LogP4.65
Rot. Bonds1

About CID 101040268

CID 101040268 (PubChem CID 101040268) has the molecular formula C25H20N4PbS- and a molecular weight of 615.73 g/mol.

Molecular Properties

Compound NameCID 101040268
PubChem CID101040268
Molecular FormulaC25H20N4PbS-
Molecular Weight615.73 g/mol
Exact Mass616.12
IUPAC Name—
SMILES[Pb].[S-]c1nnnn1-c1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C7H6N4S.3C6H5.Pb/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,10,12);3*1-5H;/p-1
InChIKeyHHDRIIRCRYCIRU-UHFFFAOYSA-M
XLogP4.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.73
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

azanium 1-phenyltetrazole-5-thiolate
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1-phenyltetrazole-5-carbonitrile
CID 12718731
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
5-(2-methylimidazol-1-yl)-1-phenyltetrazole
CID 55239596

Frequently Asked Questions

What is the IUPAC name of CID 101040268?
The IUPAC name of CID 101040268 (CID 101040268) is not available.
What is the SMILES notation for CID 101040268?
The canonical SMILES for CID 101040268 is [Pb].[S-]c1nnnn1-c1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.
What is the InChIKey of CID 101040268?
The InChIKey is HHDRIIRCRYCIRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N4S.3C6H5.Pb/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,10,12);3*1-5H;/p-1.
What are the key properties of CID 101040268?
CID 101040268 has a molecular weight of 615.73 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101040268 is sourced from PubChem (CID 101040268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).