diazaborinine

C3H3BN2 — CID 18348163

IUPACdiazaborinine
SMILESb1cccnn1
InChIInChI=1S/C3H3BN2/c1-2-4-6-5-3-1/h1-3H
InChIKeyMRGWUDKEBPXDJX-UHFFFAOYSA-N
MW77.88 g/mol
LogP-0.19
Rot. Bonds

About diazaborinine

diazaborinine (PubChem CID 18348163) has the molecular formula C3H3BN2 and a molecular weight of 77.88 g/mol. Its IUPAC name is diazaborinine.

Molecular Properties

Compound Namediazaborinine
PubChem CID18348163
Molecular FormulaC3H3BN2
Molecular Weight77.88 g/mol
Exact Mass78.04
IUPAC Namediazaborinine
SMILESb1cccnn1
InChIInChI=1S/C3H3BN2/c1-2-4-6-5-3-1/h1-3H
InChIKeyMRGWUDKEBPXDJX-UHFFFAOYSA-N
XLogP-0.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.88
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diazaborinine?
The IUPAC name of diazaborinine (CID 18348163) is diazaborinine.
What is the SMILES notation for diazaborinine?
The canonical SMILES for diazaborinine is b1cccnn1.
What is the InChIKey of diazaborinine?
The InChIKey is MRGWUDKEBPXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BN2/c1-2-4-6-5-3-1/h1-3H.
What are the key properties of diazaborinine?
diazaborinine has a molecular weight of 77.88 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazaborinine is sourced from PubChem (CID 18348163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).