CID 175472518

C5H8N3Se — CID 175472518

IUPAC—
SMILES[H]/N=C(/N)[Se].c1cc[nH]c1
InChIInChI=1S/C4H5N.CH3N2Se/c1-2-4-5-3-1;2-1(3)4/h1-5H;(H3,2,3)
InChIKeyDEXCJMKHVIHPNB-UHFFFAOYSA-N
MW189.10 g/mol
LogP0.06
Rot. Bonds

About CID 175472518

CID 175472518 (PubChem CID 175472518) has the molecular formula C5H8N3Se and a molecular weight of 189.10 g/mol.

Molecular Properties

Compound NameCID 175472518
PubChem CID175472518
Molecular FormulaC5H8N3Se
Molecular Weight189.10 g/mol
Exact Mass189.99
IUPAC Name—
SMILES[H]/N=C(/N)[Se].c1cc[nH]c1
InChIInChI=1S/C4H5N.CH3N2Se/c1-2-4-5-3-1;2-1(3)4/h1-5H;(H3,2,3)
InChIKeyDEXCJMKHVIHPNB-UHFFFAOYSA-N
XLogP0.06
TPSA65.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 175472518?
The IUPAC name of CID 175472518 (CID 175472518) is not available.
What is the SMILES notation for CID 175472518?
The canonical SMILES for CID 175472518 is [H]/N=C(/N)[Se].c1cc[nH]c1.
What is the InChIKey of CID 175472518?
The InChIKey is DEXCJMKHVIHPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.CH3N2Se/c1-2-4-5-3-1;2-1(3)4/h1-5H;(H3,2,3).
What are the key properties of CID 175472518?
CID 175472518 has a molecular weight of 189.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175472518 is sourced from PubChem (CID 175472518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).