CID 170568234

C7H3BN4 — CID 170568234

IUPAC—
SMILES[B]c1cnc2c(C#N)cnn2c1
InChIInChI=1S/C7H3BN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H
InChIKeyYTBQFJGAIBASPC-UHFFFAOYSA-N
MW153.94 g/mol
LogP-0.61
Rot. Bonds

About CID 170568234

CID 170568234 (PubChem CID 170568234) has the molecular formula C7H3BN4 and a molecular weight of 153.94 g/mol.

Molecular Properties

Compound NameCID 170568234
PubChem CID170568234
Molecular FormulaC7H3BN4
Molecular Weight153.94 g/mol
Exact Mass154.05
IUPAC Name—
SMILES[B]c1cnc2c(C#N)cnn2c1
InChIInChI=1S/C7H3BN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H
InChIKeyYTBQFJGAIBASPC-UHFFFAOYSA-N
XLogP-0.61
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.94
LogP ≤ 5-0.61
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-(cyclopenten-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167966199
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275
6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166386487
6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70706183
6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 170568244
6-(9-thiabicyclo[3.3.1]nonane-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 171948750
6-(2-cyclopropylimidazo[1,2-a]pyridin-7-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166387695
4,6-dihydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164817356
3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105435034
13-methyl-12-oxido-2,6,7-triaza-12-azoniatricyclo[7.4.0.03,7]trideca-1,3,5,8,10,12-hexaene-4-carbonitrile
CID 11775830
6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 131539726
6-(9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 171948746

Frequently Asked Questions

What is the IUPAC name of CID 170568234?
The IUPAC name of CID 170568234 (CID 170568234) is not available.
What is the SMILES notation for CID 170568234?
The canonical SMILES for CID 170568234 is [B]c1cnc2c(C#N)cnn2c1.
What is the InChIKey of CID 170568234?
The InChIKey is YTBQFJGAIBASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H.
What are the key properties of CID 170568234?
CID 170568234 has a molecular weight of 153.94 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170568234 is sourced from PubChem (CID 170568234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).