CID 160734103

C12H20BN6 — CID 160734103

IUPAC—
SMILESCC.CC/N=C(\N)c1cn2cnnc2c(CC)n1.[B]
InChIInChI=1S/C10H14N6.C2H6.B/c1-3-7-10-15-13-6-16(10)5-8(14-7)9(11)12-4-2;1-2;/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3;
InChIKeyGBOUEONUUQZOCO-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.06
Rot. Bonds3

About CID 160734103

CID 160734103 (PubChem CID 160734103) has the molecular formula C12H20BN6 and a molecular weight of 259.15 g/mol.

Molecular Properties

Compound NameCID 160734103
PubChem CID160734103
Molecular FormulaC12H20BN6
Molecular Weight259.15 g/mol
Exact Mass259.18
IUPAC Name—
SMILESCC.CC/N=C(\N)c1cn2cnnc2c(CC)n1.[B]
InChIInChI=1S/C10H14N6.C2H6.B/c1-3-7-10-15-13-6-16(10)5-8(14-7)9(11)12-4-2;1-2;/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3;
InChIKeyGBOUEONUUQZOCO-UHFFFAOYSA-N
XLogP1.06
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160734103?
The IUPAC name of CID 160734103 (CID 160734103) is not available.
What is the SMILES notation for CID 160734103?
The canonical SMILES for CID 160734103 is CC.CC/N=C(\N)c1cn2cnnc2c(CC)n1.[B].
What is the InChIKey of CID 160734103?
The InChIKey is GBOUEONUUQZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.C2H6.B/c1-3-7-10-15-13-6-16(10)5-8(14-7)9(11)12-4-2;1-2;/h5-6H,3-4H2,1-2H3,(H2,11,12);1-2H3;.
What are the key properties of CID 160734103?
CID 160734103 has a molecular weight of 259.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160734103 is sourced from PubChem (CID 160734103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).