CID 88923535

C11H7BN4 — CID 88923535

IUPAC—
SMILES[B]c1cnc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C11H7BN4/c12-9-6-13-11-15-14-10(16(11)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyBWOGDOIANDDBTB-UHFFFAOYSA-N
MW206.02 g/mol
LogP0.59
Rot. Bonds1

About CID 88923535

CID 88923535 (PubChem CID 88923535) has the molecular formula C11H7BN4 and a molecular weight of 206.02 g/mol.

Molecular Properties

Compound NameCID 88923535
PubChem CID88923535
Molecular FormulaC11H7BN4
Molecular Weight206.02 g/mol
Exact Mass206.08
IUPAC Name—
SMILES[B]c1cnc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C11H7BN4/c12-9-6-13-11-15-14-10(16(11)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyBWOGDOIANDDBTB-UHFFFAOYSA-N
XLogP0.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 50.59
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

6-bromo-3-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258250
6-(2-phenoxyphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258252
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
4-[6-(4-tert-butylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl]benzonitrile
CID 53258367
4-(6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)benzoic acid
CID 156503118
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine
CID 70797858
6-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258366
5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 614138
10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 939400
6-bromo-3-phenylimidazo[1,5-a]pyridine
CID 71535466
3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 117058444

Frequently Asked Questions

What is the IUPAC name of CID 88923535?
The IUPAC name of CID 88923535 (CID 88923535) is not available.
What is the SMILES notation for CID 88923535?
The canonical SMILES for CID 88923535 is [B]c1cnc2nnc(-c3ccccc3)n2c1.
What is the InChIKey of CID 88923535?
The InChIKey is BWOGDOIANDDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BN4/c12-9-6-13-11-15-14-10(16(11)7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of CID 88923535?
CID 88923535 has a molecular weight of 206.02 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88923535 is sourced from PubChem (CID 88923535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).