CID 173409418

C6H6N3Se — CID 173409418

IUPAC—
SMILESNC([Se])=Nc1ccccn1
InChIInChI=1S/C6H6N3Se/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H2,7,8,9)
InChIKeyBLSJSBAFYYXUPS-UHFFFAOYSA-N
MW199.10 g/mol
LogP0.20
Rot. Bonds1

About CID 173409418

CID 173409418 (PubChem CID 173409418) has the molecular formula C6H6N3Se and a molecular weight of 199.10 g/mol.

Molecular Properties

Compound NameCID 173409418
PubChem CID173409418
Molecular FormulaC6H6N3Se
Molecular Weight199.10 g/mol
Exact Mass199.97
IUPAC Name—
SMILESNC([Se])=Nc1ccccn1
InChIInChI=1S/C6H6N3Se/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H2,7,8,9)
InChIKeyBLSJSBAFYYXUPS-UHFFFAOYSA-N
XLogP0.20
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
methyl (1E)-N-pyridin-2-ylethanimidate
CID 14952135
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647
CID 152756166
CID 152756166
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
CID 160972528
(E)-pyridin-2-yliminothiourea
CID 177497182
dipyridin-2-yldiazene;osmium
CID 173074203
N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
CID 131712575
3-amino-3-(4-aminophenyl)-2-(N'-pyridin-2-ylcarbamimidoyl)prop-2-enamide
CID 174091449
N'-aminopyridine-2-carboximidamide
CID 5464234
(2E,3Z)-2-(aminomethylidene)-4,4,4-trifluoro-3-pyridin-2-yliminobutanoic acid
CID 169213528
[(E)-C-(2-oxopropoxy)-N-pyridin-2-ylcarbonimidoyl] 2-oxopropyl carbonate
CID 22216165

Frequently Asked Questions

What is the IUPAC name of CID 173409418?
The IUPAC name of CID 173409418 (CID 173409418) is not available.
What is the SMILES notation for CID 173409418?
The canonical SMILES for CID 173409418 is NC([Se])=Nc1ccccn1.
What is the InChIKey of CID 173409418?
The InChIKey is BLSJSBAFYYXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3Se/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H2,7,8,9).
What are the key properties of CID 173409418?
CID 173409418 has a molecular weight of 199.10 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173409418 is sourced from PubChem (CID 173409418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).