CID 143996492

C3H5BN2 — CID 143996492

IUPAC—
SMILES[H]/N=C/C([B])=C\N
InChIInChI=1S/C3H5BN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+
InChIKeyPIZKCTJTXYGGFP-KQRCDPSGSA-N
MW79.90 g/mol
LogP-0.40
Rot. Bonds1

About CID 143996492

CID 143996492 (PubChem CID 143996492) has the molecular formula C3H5BN2 and a molecular weight of 79.90 g/mol.

Molecular Properties

Compound NameCID 143996492
PubChem CID143996492
Molecular FormulaC3H5BN2
Molecular Weight79.90 g/mol
Exact Mass80.05
IUPAC Name—
SMILES[H]/N=C/C([B])=C\N
InChIInChI=1S/C3H5BN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+
InChIKeyPIZKCTJTXYGGFP-KQRCDPSGSA-N
XLogP-0.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.90
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-iminoprop-1-en-1-amine
CID 143940668
[(Z)-1-amino-3-iminoprop-1-en-2-yl]boronic acid
CID 89044172
CID 145768101
CID 145768101
CID 154516807
CID 154516807
CID 174163302
CID 174163302
CID 143276866
CID 143276866

Frequently Asked Questions

What is the IUPAC name of CID 143996492?
The IUPAC name of CID 143996492 (CID 143996492) is not available.
What is the SMILES notation for CID 143996492?
The canonical SMILES for CID 143996492 is [H]/N=C/C([B])=C\N.
What is the InChIKey of CID 143996492?
The InChIKey is PIZKCTJTXYGGFP-KQRCDPSGSA-N. The full InChI is InChI=1S/C3H5BN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+.
What are the key properties of CID 143996492?
CID 143996492 has a molecular weight of 79.90 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143996492 is sourced from PubChem (CID 143996492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).