CID 20666422

C10H14BN4 — CID 20666422

IUPAC—
SMILESCN[B]NCc1cccc2nc(C)cn12
InChIInChI=1S/C10H14BN4/c1-8-7-15-9(6-13-11-12-2)4-3-5-10(15)14-8/h3-5,7,12-13H,6H2,1-2H3
InChIKeyZRVVBOQPOUHPHW-UHFFFAOYSA-N
MW201.06 g/mol
LogP0.49
Rot. Bonds4

About CID 20666422

CID 20666422 (PubChem CID 20666422) has the molecular formula C10H14BN4 and a molecular weight of 201.06 g/mol.

Molecular Properties

Compound NameCID 20666422
PubChem CID20666422
Molecular FormulaC10H14BN4
Molecular Weight201.06 g/mol
Exact Mass201.13
IUPAC Name—
SMILESCN[B]NCc1cccc2nc(C)cn12
InChIInChI=1S/C10H14BN4/c1-8-7-15-9(6-13-11-12-2)4-3-5-10(15)14-8/h3-5,7,12-13H,6H2,1-2H3
InChIKeyZRVVBOQPOUHPHW-UHFFFAOYSA-N
XLogP0.49
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20666422?
The IUPAC name of CID 20666422 (CID 20666422) is not available.
What is the SMILES notation for CID 20666422?
The canonical SMILES for CID 20666422 is CN[B]NCc1cccc2nc(C)cn12.
What is the InChIKey of CID 20666422?
The InChIKey is ZRVVBOQPOUHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN4/c1-8-7-15-9(6-13-11-12-2)4-3-5-10(15)14-8/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of CID 20666422?
CID 20666422 has a molecular weight of 201.06 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20666422 is sourced from PubChem (CID 20666422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).