CID 19431496

C15H14N5Se — CID 19431496

IUPAC—
SMILES[H]/N=C(\[Se])c1cn(Cc2ccc(C)cc2)c2ncnc(N)c12
InChIInChI=1S/C15H14N5Se/c1-9-2-4-10(5-3-9)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-
InChIKeyRBDBQUSJVNKOEV-VKAVYKQESA-N
MW343.27 g/mol
LogP1.86
Rot. Bonds3

About CID 19431496

CID 19431496 (PubChem CID 19431496) has the molecular formula C15H14N5Se and a molecular weight of 343.27 g/mol.

Molecular Properties

Compound NameCID 19431496
PubChem CID19431496
Molecular FormulaC15H14N5Se
Molecular Weight343.27 g/mol
Exact Mass344.04
IUPAC Name—
SMILES[H]/N=C(\[Se])c1cn(Cc2ccc(C)cc2)c2ncnc(N)c12
InChIInChI=1S/C15H14N5Se/c1-9-2-4-10(5-3-9)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-
InChIKeyRBDBQUSJVNKOEV-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 19431496?
The IUPAC name of CID 19431496 (CID 19431496) is not available.
What is the SMILES notation for CID 19431496?
The canonical SMILES for CID 19431496 is [H]/N=C(\[Se])c1cn(Cc2ccc(C)cc2)c2ncnc(N)c12.
What is the InChIKey of CID 19431496?
The InChIKey is RBDBQUSJVNKOEV-VKAVYKQESA-N. The full InChI is InChI=1S/C15H14N5Se/c1-9-2-4-10(5-3-9)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 19431496?
CID 19431496 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 19431496 is sourced from PubChem (CID 19431496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).