CID 162237215

C4H5BN2P — CID 162237215

IUPAC—
SMILESPc1cnccn1.[B]
InChIInChI=1S/C4H5N2P.B/c7-4-3-5-1-2-6-4;/h1-3H,7H2;
InChIKeyNFIFZMUHWHRPBJ-UHFFFAOYSA-N
MW122.88 g/mol
LogP-0.40
Rot. Bonds

About CID 162237215

CID 162237215 (PubChem CID 162237215) has the molecular formula C4H5BN2P and a molecular weight of 122.88 g/mol.

Molecular Properties

Compound NameCID 162237215
PubChem CID162237215
Molecular FormulaC4H5BN2P
Molecular Weight122.88 g/mol
Exact Mass123.03
IUPAC Name—
SMILESPc1cnccn1.[B]
InChIInChI=1S/C4H5N2P.B/c7-4-3-5-1-2-6-4;/h1-3H,7H2;
InChIKeyNFIFZMUHWHRPBJ-UHFFFAOYSA-N
XLogP-0.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.88
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162237215?
The IUPAC name of CID 162237215 (CID 162237215) is not available.
What is the SMILES notation for CID 162237215?
The canonical SMILES for CID 162237215 is Pc1cnccn1.[B].
What is the InChIKey of CID 162237215?
The InChIKey is NFIFZMUHWHRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2P.B/c7-4-3-5-1-2-6-4;/h1-3H,7H2;.
What are the key properties of CID 162237215?
CID 162237215 has a molecular weight of 122.88 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162237215 is sourced from PubChem (CID 162237215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).