CID 175227621

C12H16BN8 — CID 175227621

IUPAC—
SMILES[B].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/4C3H4N2.B/c4*1-2-5-3-4-1;/h4*1-3H,(H,4,5);
InChIKeyQVVRHIVDVWGFTE-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.26
Rot. Bonds

About CID 175227621

CID 175227621 (PubChem CID 175227621) has the molecular formula C12H16BN8 and a molecular weight of 283.13 g/mol.

Molecular Properties

Compound NameCID 175227621
PubChem CID175227621
Molecular FormulaC12H16BN8
Molecular Weight283.13 g/mol
Exact Mass283.16
IUPAC Name—
SMILES[B].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/4C3H4N2.B/c4*1-2-5-3-4-1;/h4*1-3H,(H,4,5);
InChIKeyQVVRHIVDVWGFTE-UHFFFAOYSA-N
XLogP1.26
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sodium tetrakis(1-imidazolyl)borate
CID 23681131
Nickel(2+), hexakis(1H-imidazole-kappaN3)-, chloride (1:2), (OC-6-11)-
CID 85080
Tetra(Imidazole)Diaquacopper (Ii)
CID 446593
2-N,4-N,6-N-tris[2-(1H-imidazol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 172459949
Imidazolium-bis(imidazole)tetrachlororuthenate(III)
CID 124854
hexakis(1H-imidazole);ruthenium(2+);dichloride
CID 9851225
Tris(imidazolyl)phosphine
CID 12657118
Tris((1H-imidazol-2-yl)methyl)amine
CID 18322609
Tris(imidazolyl)phosphane oxide
CID 68504235
Sodium tetrakis(imidazolyl)borate
CID 87563527
Silicate imidazolium
CID 129675324
Hexakis(imidazolyl)cyclotriphosphazene
CID 129698680

Frequently Asked Questions

What is the IUPAC name of CID 175227621?
The IUPAC name of CID 175227621 (CID 175227621) is not available.
What is the SMILES notation for CID 175227621?
The canonical SMILES for CID 175227621 is [B].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of CID 175227621?
The InChIKey is QVVRHIVDVWGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H4N2.B/c4*1-2-5-3-4-1;/h4*1-3H,(H,4,5);.
What are the key properties of CID 175227621?
CID 175227621 has a molecular weight of 283.13 g/mol, XLogP of 1.26, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175227621 is sourced from PubChem (CID 175227621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).