CID 142346879

C6H10BN3 — CID 142346879

IUPAC—
SMILES[B]c1nc(C)nn1CCC
InChIInChI=1S/C6H10BN3/c1-3-4-10-6(7)8-5(2)9-10/h3-4H2,1-2H3
InChIKeyZXTWZGCBGFBRHE-UHFFFAOYSA-N
MW134.98 g/mol
LogP-0.21
Rot. Bonds2

About CID 142346879

CID 142346879 (PubChem CID 142346879) has the molecular formula C6H10BN3 and a molecular weight of 134.98 g/mol.

Molecular Properties

Compound NameCID 142346879
PubChem CID142346879
Molecular FormulaC6H10BN3
Molecular Weight134.98 g/mol
Exact Mass135.10
IUPAC Name—
SMILES[B]c1nc(C)nn1CCC
InChIInChI=1S/C6H10BN3/c1-3-4-10-6(7)8-5(2)9-10/h3-4H2,1-2H3
InChIKeyZXTWZGCBGFBRHE-UHFFFAOYSA-N
XLogP-0.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.98
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 142346879?
The IUPAC name of CID 142346879 (CID 142346879) is not available.
What is the SMILES notation for CID 142346879?
The canonical SMILES for CID 142346879 is [B]c1nc(C)nn1CCC.
What is the InChIKey of CID 142346879?
The InChIKey is ZXTWZGCBGFBRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BN3/c1-3-4-10-6(7)8-5(2)9-10/h3-4H2,1-2H3.
What are the key properties of CID 142346879?
CID 142346879 has a molecular weight of 134.98 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142346879 is sourced from PubChem (CID 142346879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).