CID 173382651

C5H6BN3O2 — CID 173382651

IUPAC—
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1[B]
InChIInChI=1S/C5H6BN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2H,1H3,(H2,7,8,11)
InChIKeyDOXCOOCQYOLQHH-UHFFFAOYSA-N
MW150.93 g/mol
LogP-0.90
Rot. Bonds

About CID 173382651

CID 173382651 (PubChem CID 173382651) has the molecular formula C5H6BN3O2 and a molecular weight of 150.93 g/mol.

Molecular Properties

Compound NameCID 173382651
PubChem CID173382651
Molecular FormulaC5H6BN3O2
Molecular Weight150.93 g/mol
Exact Mass151.06
IUPAC Name—
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1[B]
InChIInChI=1S/C5H6BN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2H,1H3,(H2,7,8,11)
InChIKeyDOXCOOCQYOLQHH-UHFFFAOYSA-N
XLogP-0.90
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.93
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173382651?
The IUPAC name of CID 173382651 (CID 173382651) is not available.
What is the SMILES notation for CID 173382651?
The canonical SMILES for CID 173382651 is [H]/N=C1\NC(=O)N(C)C(=O)C1[B].
What is the InChIKey of CID 173382651?
The InChIKey is DOXCOOCQYOLQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2H,1H3,(H2,7,8,11).
What are the key properties of CID 173382651?
CID 173382651 has a molecular weight of 150.93 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173382651 is sourced from PubChem (CID 173382651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).