CID 127025281

C9H10N3Se — CID 127025281

IUPAC—
SMILESC/C(=N\N=C(/N)[Se])c1ccccc1
InChIInChI=1S/C9H10N3Se/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,12)/b11-7+
InChIKeyNCAYMRCFKITABV-YRNVUSSQSA-N
MW239.16 g/mol
LogP0.89
Rot. Bonds2

About CID 127025281

CID 127025281 (PubChem CID 127025281) has the molecular formula C9H10N3Se and a molecular weight of 239.16 g/mol.

Molecular Properties

Compound NameCID 127025281
PubChem CID127025281
Molecular FormulaC9H10N3Se
Molecular Weight239.16 g/mol
Exact Mass240.00
IUPAC Name—
SMILESC/C(=N\N=C(/N)[Se])c1ccccc1
InChIInChI=1S/C9H10N3Se/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,12)/b11-7+
InChIKeyNCAYMRCFKITABV-YRNVUSSQSA-N
XLogP0.89
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 50.89
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
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2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
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CID 152756166
CID 152756166
N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide
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2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
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1,2,3-tris(1-phenylethylideneamino)guanidine
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(Z)-1,2-diphenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
CID 6377356
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
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N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
(1-phenylethylideneamino)thiourea
CID 912962
1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of CID 127025281?
The IUPAC name of CID 127025281 (CID 127025281) is not available.
What is the SMILES notation for CID 127025281?
The canonical SMILES for CID 127025281 is C/C(=N\N=C(/N)[Se])c1ccccc1.
What is the InChIKey of CID 127025281?
The InChIKey is NCAYMRCFKITABV-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10N3Se/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,12)/b11-7+.
What are the key properties of CID 127025281?
CID 127025281 has a molecular weight of 239.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 127025281 is sourced from PubChem (CID 127025281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).