CID 123978990

C2H6BN4 — CID 123978990

IUPAC—
SMILESC/N=N/[B]/N=N/C
InChIInChI=1S/C2H6BN4/c1-4-6-3-7-5-2/h1-2H3/b6-4+,7-5+
InChIKeyKHDYDCGTXDDBNX-YDFGWWAZSA-N
MW96.91 g/mol
LogP0.68
Rot. Bonds2

About CID 123978990

CID 123978990 (PubChem CID 123978990) has the molecular formula C2H6BN4 and a molecular weight of 96.91 g/mol.

Molecular Properties

Compound NameCID 123978990
PubChem CID123978990
Molecular FormulaC2H6BN4
Molecular Weight96.91 g/mol
Exact Mass97.07
IUPAC Name—
SMILESC/N=N/[B]/N=N/C
InChIInChI=1S/C2H6BN4/c1-4-6-3-7-5-2/h1-2H3/b6-4+,7-5+
InChIKeyKHDYDCGTXDDBNX-YDFGWWAZSA-N
XLogP0.68
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.91
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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benzene;dimethyldiazene
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3-iodopropyl(methyl)diazene
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CID 163829709
bis(methyldiazenyl)azaniumylideneazanide
CID 88803587
methyliminocyanamide
CID 91505024
ethane;mercury
CID 174692299

Frequently Asked Questions

What is the IUPAC name of CID 123978990?
The IUPAC name of CID 123978990 (CID 123978990) is not available.
What is the SMILES notation for CID 123978990?
The canonical SMILES for CID 123978990 is C/N=N/[B]/N=N/C.
What is the InChIKey of CID 123978990?
The InChIKey is KHDYDCGTXDDBNX-YDFGWWAZSA-N. The full InChI is InChI=1S/C2H6BN4/c1-4-6-3-7-5-2/h1-2H3/b6-4+,7-5+.
What are the key properties of CID 123978990?
CID 123978990 has a molecular weight of 96.91 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123978990 is sourced from PubChem (CID 123978990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).