CID 88659691

C16H17N4Se — CID 88659691

IUPAC—
SMILESCC(=NN/C([Se])=N/Cc1ccccc1C)c1ccccn1
InChIInChI=1S/C16H17N4Se/c1-12-7-3-4-8-14(12)11-18-16(21)20-19-13(2)15-9-5-6-10-17-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyNFZUMGJOCMKBLY-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.43
Rot. Bonds4

About CID 88659691

CID 88659691 (PubChem CID 88659691) has the molecular formula C16H17N4Se and a molecular weight of 344.30 g/mol.

Molecular Properties

Compound NameCID 88659691
PubChem CID88659691
Molecular FormulaC16H17N4Se
Molecular Weight344.30 g/mol
Exact Mass345.06
IUPAC Name—
SMILESCC(=NN/C([Se])=N/Cc1ccccc1C)c1ccccn1
InChIInChI=1S/C16H17N4Se/c1-12-7-3-4-8-14(12)11-18-16(21)20-19-13(2)15-9-5-6-10-17-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyNFZUMGJOCMKBLY-UHFFFAOYSA-N
XLogP2.43
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.43
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

CID 88660142
CID 88660142
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CID 173340240
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
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[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769

Frequently Asked Questions

What is the IUPAC name of CID 88659691?
The IUPAC name of CID 88659691 (CID 88659691) is not available.
What is the SMILES notation for CID 88659691?
The canonical SMILES for CID 88659691 is CC(=NN/C([Se])=N/Cc1ccccc1C)c1ccccn1.
What is the InChIKey of CID 88659691?
The InChIKey is NFZUMGJOCMKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N4Se/c1-12-7-3-4-8-14(12)11-18-16(21)20-19-13(2)15-9-5-6-10-17-15/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of CID 88659691?
CID 88659691 has a molecular weight of 344.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88659691 is sourced from PubChem (CID 88659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).