CID 172927637

C17H19N6Se — CID 172927637

IUPAC—
SMILESC/C(=N\N=C([Se])N1CCN(c2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C17H19N6Se/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16/h2-9H,10-13H2,1H3/b20-14+,21-17?
InChIKeyXHOWLJGNFHYYAE-YBJBDELCSA-N
MW386.34 g/mol
LogP1.55
Rot. Bonds3

About CID 172927637

CID 172927637 (PubChem CID 172927637) has the molecular formula C17H19N6Se and a molecular weight of 386.34 g/mol.

Molecular Properties

Compound NameCID 172927637
PubChem CID172927637
Molecular FormulaC17H19N6Se
Molecular Weight386.34 g/mol
Exact Mass387.08
IUPAC Name—
SMILESC/C(=N\N=C([Se])N1CCN(c2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C17H19N6Se/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16/h2-9H,10-13H2,1H3/b20-14+,21-17?
InChIKeyXHOWLJGNFHYYAE-YBJBDELCSA-N
XLogP1.55
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172927637?
The IUPAC name of CID 172927637 (CID 172927637) is not available.
What is the SMILES notation for CID 172927637?
The canonical SMILES for CID 172927637 is C/C(=N\N=C([Se])N1CCN(c2ccccn2)CC1)c1ccccn1.
What is the InChIKey of CID 172927637?
The InChIKey is XHOWLJGNFHYYAE-YBJBDELCSA-N. The full InChI is InChI=1S/C17H19N6Se/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16/h2-9H,10-13H2,1H3/b20-14+,21-17?.
What are the key properties of CID 172927637?
CID 172927637 has a molecular weight of 386.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172927637 is sourced from PubChem (CID 172927637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).