CID 176520432

C5H10N3Se — CID 176520432

IUPAC—
SMILES[H]/N=C(\[Se])NN=CCCC
InChIInChI=1S/C5H10N3Se/c1-2-3-4-7-8-5(6)9/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyIEANSGQSYDKTQQ-UHFFFAOYSA-N
MW191.12 g/mol
LogP0.47
Rot. Bonds3

About CID 176520432

CID 176520432 (PubChem CID 176520432) has the molecular formula C5H10N3Se and a molecular weight of 191.12 g/mol.

Molecular Properties

Compound NameCID 176520432
PubChem CID176520432
Molecular FormulaC5H10N3Se
Molecular Weight191.12 g/mol
Exact Mass192.00
IUPAC Name—
SMILES[H]/N=C(\[Se])NN=CCCC
InChIInChI=1S/C5H10N3Se/c1-2-3-4-7-8-5(6)9/h4H,2-3H2,1H3,(H2,6,8)
InChIKeyIEANSGQSYDKTQQ-UHFFFAOYSA-N
XLogP0.47
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 50.47
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of CID 176520432?
The IUPAC name of CID 176520432 (CID 176520432) is not available.
What is the SMILES notation for CID 176520432?
The canonical SMILES for CID 176520432 is [H]/N=C(\[Se])NN=CCCC.
What is the InChIKey of CID 176520432?
The InChIKey is IEANSGQSYDKTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3Se/c1-2-3-4-7-8-5(6)9/h4H,2-3H2,1H3,(H2,6,8).
What are the key properties of CID 176520432?
CID 176520432 has a molecular weight of 191.12 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176520432 is sourced from PubChem (CID 176520432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).