CID 143951776

C2H2BN3 — CID 143951776

IUPAC—
SMILES[B]n1ccnn1
InChIInChI=1S/C2H2BN3/c3-6-2-1-4-5-6/h1-2H
InChIKeyOJDSTRAVDPIFEM-UHFFFAOYSA-N
MW78.87 g/mol
LogP-0.79
Rot. Bonds

About CID 143951776

CID 143951776 (PubChem CID 143951776) has the molecular formula C2H2BN3 and a molecular weight of 78.87 g/mol.

Molecular Properties

Compound NameCID 143951776
PubChem CID143951776
Molecular FormulaC2H2BN3
Molecular Weight78.87 g/mol
Exact Mass79.03
IUPAC Name—
SMILES[B]n1ccnn1
InChIInChI=1S/C2H2BN3/c3-6-2-1-4-5-6/h1-2H
InChIKeyOJDSTRAVDPIFEM-UHFFFAOYSA-N
XLogP-0.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.87
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triazol-1-ylarsane
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silver 1-sulfanyltriazole
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3,5-bis(triazol-1-yl)pyridine
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2-sulfanyl-2-(triazol-1-yl)acetonitrile
CID 135340388
triazol-1-ylmethanol
CID 15568557
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
triazol-1-ylhydrazine
CID 154372556
fluoroform;1-methyltriazole
CID 174723397
N,N-dimethylformamide;1-hydroxytriazole
CID 174891213
triazole-1-sulfonamide
CID 22401447
carboxy(triazol-1-yl)carbamic acid
CID 67445650
triazolo[5,1-c][1,2,4]triazine
CID 90245641

Frequently Asked Questions

What is the IUPAC name of CID 143951776?
The IUPAC name of CID 143951776 (CID 143951776) is not available.
What is the SMILES notation for CID 143951776?
The canonical SMILES for CID 143951776 is [B]n1ccnn1.
What is the InChIKey of CID 143951776?
The InChIKey is OJDSTRAVDPIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BN3/c3-6-2-1-4-5-6/h1-2H.
What are the key properties of CID 143951776?
CID 143951776 has a molecular weight of 78.87 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143951776 is sourced from PubChem (CID 143951776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).