borinine-4-carboximidamide

C6H7BN2 — CID 141334946

IUPACborinine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccbcc1
InChIInChI=1S/C6H7BN2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H3,8,9)
InChIKeyBLRJFABHXZKLHW-UHFFFAOYSA-N
MW117.95 g/mol
LogP0.31
Rot. Bonds1

About borinine-4-carboximidamide

borinine-4-carboximidamide (PubChem CID 141334946) has the molecular formula C6H7BN2 and a molecular weight of 117.95 g/mol. Its IUPAC name is borinine-4-carboximidamide.

Molecular Properties

Compound Nameborinine-4-carboximidamide
PubChem CID141334946
Molecular FormulaC6H7BN2
Molecular Weight117.95 g/mol
Exact Mass118.07
IUPAC Nameborinine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccbcc1
InChIInChI=1S/C6H7BN2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H3,8,9)
InChIKeyBLRJFABHXZKLHW-UHFFFAOYSA-N
XLogP0.31
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.95
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze borinine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenecarboximidamide;sulfane
CID 172701796
benzenecarboximidamide;hydron;chloride
CID 66824376
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
4-aminooxybenzenecarboximidamide
CID 10441869
4-methylphosphanylbenzenecarboximidamide
CID 156750976
benzenecarboximidamide;toluene
CID 158219006
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
4-(difluoromethyl)benzenecarboximidamide
CID 83854591

Frequently Asked Questions

What is the IUPAC name of borinine-4-carboximidamide?
The IUPAC name of borinine-4-carboximidamide (CID 141334946) is borinine-4-carboximidamide.
What is the SMILES notation for borinine-4-carboximidamide?
The canonical SMILES for borinine-4-carboximidamide is [H]/N=C(\N)c1ccbcc1.
What is the InChIKey of borinine-4-carboximidamide?
The InChIKey is BLRJFABHXZKLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BN2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H3,8,9).
What are the key properties of borinine-4-carboximidamide?
borinine-4-carboximidamide has a molecular weight of 117.95 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borinine-4-carboximidamide is sourced from PubChem (CID 141334946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).