CID 19431502

C15H14N5Se — CID 19431502

IUPAC—
SMILES[H]/N=C(\[Se])c1cn(Cc2cccc(C)c2)c2ncnc(N)c12
InChIInChI=1S/C15H14N5Se/c1-9-3-2-4-10(5-9)6-20-7-11(14(17)21)12-13(16)18-8-19-15(12)20/h2-5,7-8,17H,6H2,1H3,(H2,16,18,19)/b17-14-
InChIKeyRELFPAUMDGPXSN-VKAVYKQESA-N
MW343.27 g/mol
LogP1.86
Rot. Bonds3

About CID 19431502

CID 19431502 (PubChem CID 19431502) has the molecular formula C15H14N5Se and a molecular weight of 343.27 g/mol.

Molecular Properties

Compound NameCID 19431502
PubChem CID19431502
Molecular FormulaC15H14N5Se
Molecular Weight343.27 g/mol
Exact Mass344.04
IUPAC Name—
SMILES[H]/N=C(\[Se])c1cn(Cc2cccc(C)c2)c2ncnc(N)c12
InChIInChI=1S/C15H14N5Se/c1-9-3-2-4-10(5-9)6-20-7-11(14(17)21)12-13(16)18-8-19-15(12)20/h2-5,7-8,17H,6H2,1H3,(H2,16,18,19)/b17-14-
InChIKeyRELFPAUMDGPXSN-VKAVYKQESA-N
XLogP1.86
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19431502?
The IUPAC name of CID 19431502 (CID 19431502) is not available.
What is the SMILES notation for CID 19431502?
The canonical SMILES for CID 19431502 is [H]/N=C(\[Se])c1cn(Cc2cccc(C)c2)c2ncnc(N)c12.
What is the InChIKey of CID 19431502?
The InChIKey is RELFPAUMDGPXSN-VKAVYKQESA-N. The full InChI is InChI=1S/C15H14N5Se/c1-9-3-2-4-10(5-9)6-20-7-11(14(17)21)12-13(16)18-8-19-15(12)20/h2-5,7-8,17H,6H2,1H3,(H2,16,18,19)/b17-14-.
What are the key properties of CID 19431502?
CID 19431502 has a molecular weight of 343.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19431502 is sourced from PubChem (CID 19431502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).