CID 152756166

C8H9N4Se — CID 152756166

IUPAC—
SMILESCC(=NN=C(N)[Se])c1ccccn1
InChIInChI=1S/C8H9N4Se/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H2,9,12)
InChIKeyXSTOWMMLXGYNPH-UHFFFAOYSA-N
MW240.15 g/mol
LogP0.29
Rot. Bonds2

About CID 152756166

CID 152756166 (PubChem CID 152756166) has the molecular formula C8H9N4Se and a molecular weight of 240.15 g/mol.

Molecular Properties

Compound NameCID 152756166
PubChem CID152756166
Molecular FormulaC8H9N4Se
Molecular Weight240.15 g/mol
Exact Mass241.00
IUPAC Name—
SMILESCC(=NN=C(N)[Se])c1ccccn1
InChIInChI=1S/C8H9N4Se/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H2,9,12)
InChIKeyXSTOWMMLXGYNPH-UHFFFAOYSA-N
XLogP0.29
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-methyl-1-pyridin-2-ylethanimine
CID 12970828
aluminum;dioxido(phenyl)borane;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate
CID 90661699
CID 172927637
CID 172927637
copper [N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium
CID 50909621
bis([N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium);nickel(2+)
CID 5036858
CID 127025281
CID 127025281
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
CID 71346320
CID 173409418
CID 173409418

Frequently Asked Questions

What is the IUPAC name of CID 152756166?
The IUPAC name of CID 152756166 (CID 152756166) is not available.
What is the SMILES notation for CID 152756166?
The canonical SMILES for CID 152756166 is CC(=NN=C(N)[Se])c1ccccn1.
What is the InChIKey of CID 152756166?
The InChIKey is XSTOWMMLXGYNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4Se/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H2,9,12).
What are the key properties of CID 152756166?
CID 152756166 has a molecular weight of 240.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152756166 is sourced from PubChem (CID 152756166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).