CID 134978667

C4H3BN3- — CID 134978667

IUPAC—
SMILESN#C[B-]n1ccnc1
InChIInChI=1S/C4H3BN3/c6-3-5-8-2-1-7-4-8/h1-2,4H/q-1
InChIKeyBFVKTSXQFOFJAO-UHFFFAOYSA-N
MW103.90 g/mol
LogP-0.17
Rot. Bonds1

About CID 134978667

CID 134978667 (PubChem CID 134978667) has the molecular formula C4H3BN3- and a molecular weight of 103.90 g/mol.

Molecular Properties

Compound NameCID 134978667
PubChem CID134978667
Molecular FormulaC4H3BN3-
Molecular Weight103.90 g/mol
Exact Mass104.04
IUPAC Name—
SMILESN#C[B-]n1ccnc1
InChIInChI=1S/C4H3BN3/c6-3-5-8-2-1-7-4-8/h1-2,4H/q-1
InChIKeyBFVKTSXQFOFJAO-UHFFFAOYSA-N
XLogP-0.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.90
LogP ≤ 5-0.17
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

CID 134978870
CID 134978870
acetonitrile;1-ethenylimidazole
CID 175188267
4-imidazol-1-ylbutanenitrile
CID 10855507
cyclohexa-2,5-diene-1,4-dione;imidazole-1-carbonitrile
CID 174869788
butane;1-methylimidazole;thiocyanic acid
CID 175553416
2-imidazol-1-ylacetonitrile;propanenitrile;hydrochloride
CID 145097048
4-(1-imidazol-1-ylethenyl)benzonitrile
CID 11819989
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
imidazol-1-ylalumane
CID 149115498
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
benzonitrile;4-(imidazol-1-ylamino)benzonitrile
CID 158279093

Frequently Asked Questions

What is the IUPAC name of CID 134978667?
The IUPAC name of CID 134978667 (CID 134978667) is not available.
What is the SMILES notation for CID 134978667?
The canonical SMILES for CID 134978667 is N#C[B-]n1ccnc1.
What is the InChIKey of CID 134978667?
The InChIKey is BFVKTSXQFOFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BN3/c6-3-5-8-2-1-7-4-8/h1-2,4H/q-1.
What are the key properties of CID 134978667?
CID 134978667 has a molecular weight of 103.90 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134978667 is sourced from PubChem (CID 134978667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).