CID 174944384

C2H8N3OSe — CID 174944384

IUPAC—
SMILESC=O.N.[H]/N=C(/N)[Se]
InChIInChI=1S/CH3N2Se.CH2O.H3N/c2-1(3)4;1-2;/h(H3,2,3);1H2;1H3
InChIKeyPIDGKXDMCUJQME-UHFFFAOYSA-N
MW169.07 g/mol
LogP-0.97
Rot. Bonds

About CID 174944384

CID 174944384 (PubChem CID 174944384) has the molecular formula C2H8N3OSe and a molecular weight of 169.07 g/mol.

Molecular Properties

Compound NameCID 174944384
PubChem CID174944384
Molecular FormulaC2H8N3OSe
Molecular Weight169.07 g/mol
Exact Mass169.98
IUPAC Name—
SMILESC=O.N.[H]/N=C(/N)[Se]
InChIInChI=1S/CH3N2Se.CH2O.H3N/c2-1(3)4;1-2;/h(H3,2,3);1H2;1H3
InChIKeyPIDGKXDMCUJQME-UHFFFAOYSA-N
XLogP-0.97
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 174944384?
The IUPAC name of CID 174944384 (CID 174944384) is not available.
What is the SMILES notation for CID 174944384?
The canonical SMILES for CID 174944384 is C=O.N.[H]/N=C(/N)[Se].
What is the InChIKey of CID 174944384?
The InChIKey is PIDGKXDMCUJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2Se.CH2O.H3N/c2-1(3)4;1-2;/h(H3,2,3);1H2;1H3.
What are the key properties of CID 174944384?
CID 174944384 has a molecular weight of 169.07 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174944384 is sourced from PubChem (CID 174944384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).