CID 134978870

C6H6BLiN4 — CID 134978870

IUPAC—
SMILES[B-](n1ccnc1)n1ccnc1.[Li+]
InChIInChI=1S/C6H6BN4.Li/c1-3-10(5-8-1)7-11-4-2-9-6-11;/h1-6H;/q-1;+1
InChIKeyNBULKKCWFMPCKR-UHFFFAOYSA-N
MW151.89 g/mol
LogP-2.99
Rot. Bonds2

About CID 134978870

CID 134978870 (PubChem CID 134978870) has the molecular formula C6H6BLiN4 and a molecular weight of 151.89 g/mol.

Molecular Properties

Compound NameCID 134978870
PubChem CID134978870
Molecular FormulaC6H6BLiN4
Molecular Weight151.89 g/mol
Exact Mass152.08
IUPAC Name—
SMILES[B-](n1ccnc1)n1ccnc1.[Li+]
InChIInChI=1S/C6H6BN4.Li/c1-3-10(5-8-1)7-11-4-2-9-6-11;/h1-6H;/q-1;+1
InChIKeyNBULKKCWFMPCKR-UHFFFAOYSA-N
XLogP-2.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.89
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 134978667
CID 134978667
imidazol-1-ylalumane
CID 149115498
1-methylimidazole;tetrachlorotitanium
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aluminum;bis(1-methylimidazole);trichloride
CID 22075407
hydron;1-methylimidazole
CID 67251829
azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176
Potassiumtri(1H-imidazol-1-yl)hydroborate
CID 23674403
CID 173148040
CID 173148040
ethene;1-methylimidazole
CID 70468306
1-(tribromomethyl)imidazole
CID 174422009
imidazol-1-amine;sulfuric acid
CID 69374932
N-tert-butylimidazole-1-sulfonamide
CID 174183105

Frequently Asked Questions

What is the IUPAC name of CID 134978870?
The IUPAC name of CID 134978870 (CID 134978870) is not available.
What is the SMILES notation for CID 134978870?
The canonical SMILES for CID 134978870 is [B-](n1ccnc1)n1ccnc1.[Li+].
What is the InChIKey of CID 134978870?
The InChIKey is NBULKKCWFMPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BN4.Li/c1-3-10(5-8-1)7-11-4-2-9-6-11;/h1-6H;/q-1;+1.
What are the key properties of CID 134978870?
CID 134978870 has a molecular weight of 151.89 g/mol, XLogP of -2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978870 is sourced from PubChem (CID 134978870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).