CID 6330480

CH4N3Se — CID 6330480

IUPAC—
SMILESNN=C(N)[Se]
InChIInChI=1S/CH4N3Se/c2-1(5)4-3/h3H2,(H2,2,4)
InChIKeyGCVPPZSLIPNFGU-UHFFFAOYSA-N
MW137.02 g/mol
LogP-1.66
Rot. Bonds

About CID 6330480

CID 6330480 (PubChem CID 6330480) has the molecular formula CH4N3Se and a molecular weight of 137.02 g/mol.

Molecular Properties

Compound NameCID 6330480
PubChem CID6330480
Molecular FormulaCH4N3Se
Molecular Weight137.02 g/mol
Exact Mass137.96
IUPAC Name—
SMILESNN=C(N)[Se]
InChIInChI=1S/CH4N3Se/c2-1(5)4-3/h3H2,(H2,2,4)
InChIKeyGCVPPZSLIPNFGU-UHFFFAOYSA-N
XLogP-1.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.02
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 6330480?
The IUPAC name of CID 6330480 (CID 6330480) is not available.
What is the SMILES notation for CID 6330480?
The canonical SMILES for CID 6330480 is NN=C(N)[Se].
What is the InChIKey of CID 6330480?
The InChIKey is GCVPPZSLIPNFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N3Se/c2-1(5)4-3/h3H2,(H2,2,4).
What are the key properties of CID 6330480?
CID 6330480 has a molecular weight of 137.02 g/mol, XLogP of -1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330480 is sourced from PubChem (CID 6330480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).