CID 174095439

C7H4BN3 — CID 174095439

IUPAC—
SMILES[B]c1cnc2nccnc2c1
InChIInChI=1S/C7H4BN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H
InChIKeyAXUPYPRENICGGG-UHFFFAOYSA-N
MW140.94 g/mol
LogP-0.18
Rot. Bonds

About CID 174095439

CID 174095439 (PubChem CID 174095439) has the molecular formula C7H4BN3 and a molecular weight of 140.94 g/mol.

Molecular Properties

Compound NameCID 174095439
PubChem CID174095439
Molecular FormulaC7H4BN3
Molecular Weight140.94 g/mol
Exact Mass141.05
IUPAC Name—
SMILES[B]c1cnc2nccnc2c1
InChIInChI=1S/C7H4BN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H
InChIKeyAXUPYPRENICGGG-UHFFFAOYSA-N
XLogP-0.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.94
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyrido[2,3-b]pyrazin-7-ylphosphane
CID 144598202
formaldehyde;bis(pteridine)
CID 174932722
ethane;pyrido[2,3-b]pyrazine
CID 91106587
2-pteridin-2-ylpteridine
CID 90758261
6,7-dimethylpyrido[2,3-b]pyrazine;ethane
CID 91196826
pyrazino[2,3-b]quinoline
CID 70431198
CID 87517130
CID 87517130
CID 171527352
CID 171527352
6-bromopyrido[2,3-b]pyrazine
CID 54759071
CID 89283544
CID 89283544
aminophosphonous acid;pteridine
CID 67674646
CID 88859668
CID 88859668

Frequently Asked Questions

What is the IUPAC name of CID 174095439?
The IUPAC name of CID 174095439 (CID 174095439) is not available.
What is the SMILES notation for CID 174095439?
The canonical SMILES for CID 174095439 is [B]c1cnc2nccnc2c1.
What is the InChIKey of CID 174095439?
The InChIKey is AXUPYPRENICGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BN3/c8-5-3-6-7(11-4-5)10-2-1-9-6/h1-4H.
What are the key properties of CID 174095439?
CID 174095439 has a molecular weight of 140.94 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174095439 is sourced from PubChem (CID 174095439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).