CID 178007921

C7H7B3N2 — CID 178007921

IUPAC—
SMILES[B]c1nnc(C(C)C)c([B])c1[B]
InChIInChI=1S/C7H7B3N2/c1-3(2)6-4(8)5(9)7(10)12-11-6/h3H,1-2H3
InChIKeyPEOVIJNHAIVBGU-UHFFFAOYSA-N
MW151.58 g/mol
LogP-2.02
Rot. Bonds1

About CID 178007921

CID 178007921 (PubChem CID 178007921) has the molecular formula C7H7B3N2 and a molecular weight of 151.58 g/mol.

Molecular Properties

Compound NameCID 178007921
PubChem CID178007921
Molecular FormulaC7H7B3N2
Molecular Weight151.58 g/mol
Exact Mass152.09
IUPAC Name—
SMILES[B]c1nnc(C(C)C)c([B])c1[B]
InChIInChI=1S/C7H7B3N2/c1-3(2)6-4(8)5(9)7(10)12-11-6/h3H,1-2H3
InChIKeyPEOVIJNHAIVBGU-UHFFFAOYSA-N
XLogP-2.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.58
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 178007921 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-di(propan-2-yl)thieno[3,4-d]pyridazine
CID 177071250
3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
CID 162772403
1,4-di(propan-2-yl)-5,7-dihydrofuro[3,4-d]pyridazine
CID 58531206
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 177071182
3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene
CID 159916628
5-methyl-3,6-di(propan-2-yl)-1,2,4-triazine
CID 144749797
4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
CID 160536856
5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
CID 116823297
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105082276
N,3-dimethyl-6-propan-2-yl-1,2,4-triazin-5-amine
CID 116823547
3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
CID 157399663

Frequently Asked Questions

What is the IUPAC name of CID 178007921?
The IUPAC name of CID 178007921 (CID 178007921) is not available.
What is the SMILES notation for CID 178007921?
The canonical SMILES for CID 178007921 is [B]c1nnc(C(C)C)c([B])c1[B].
What is the InChIKey of CID 178007921?
The InChIKey is PEOVIJNHAIVBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7B3N2/c1-3(2)6-4(8)5(9)7(10)12-11-6/h3H,1-2H3.
What are the key properties of CID 178007921?
CID 178007921 has a molecular weight of 151.58 g/mol, XLogP of -2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178007921 is sourced from PubChem (CID 178007921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).