CID 170788920

C9H12BN3 — CID 170788920

IUPAC—
SMILESCC.[B]c1cnc2[nH]cc(C)c2n1
InChIInChI=1S/C7H6BN3.C2H6/c1-4-2-9-7-6(4)11-5(8)3-10-7;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyGLXFFKQDVSIFKC-UHFFFAOYSA-N
MW173.03 g/mol
LogP1.09
Rot. Bonds

About CID 170788920

CID 170788920 (PubChem CID 170788920) has the molecular formula C9H12BN3 and a molecular weight of 173.03 g/mol.

Molecular Properties

Compound NameCID 170788920
PubChem CID170788920
Molecular FormulaC9H12BN3
Molecular Weight173.03 g/mol
Exact Mass173.11
IUPAC Name—
SMILESCC.[B]c1cnc2[nH]cc(C)c2n1
InChIInChI=1S/C7H6BN3.C2H6/c1-4-2-9-7-6(4)11-5(8)3-10-7;1-2/h2-3H,1H3,(H,9,10);1-2H3
InChIKeyGLXFFKQDVSIFKC-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.03
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 170788920 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

2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
7-methyl-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 144894336
CID 88914842
CID 88914842
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol
CID 166990345
7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 147144510
7-methoxy-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 170012027
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 143853768
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;2-ethyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine;5-ethyl-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 162232732
4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 146567972
3,5-dimethyl-1H-pyrrolo[3,2-b]pyridine;ethane
CID 144820313
2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine
CID 88944324

Frequently Asked Questions

What is the IUPAC name of CID 170788920?
The IUPAC name of CID 170788920 (CID 170788920) is not available.
What is the SMILES notation for CID 170788920?
The canonical SMILES for CID 170788920 is CC.[B]c1cnc2[nH]cc(C)c2n1.
What is the InChIKey of CID 170788920?
The InChIKey is GLXFFKQDVSIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BN3.C2H6/c1-4-2-9-7-6(4)11-5(8)3-10-7;1-2/h2-3H,1H3,(H,9,10);1-2H3.
What are the key properties of CID 170788920?
CID 170788920 has a molecular weight of 173.03 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170788920 is sourced from PubChem (CID 170788920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).