CID 174505326

C6H7AlFN2 — CID 174505326

IUPAC—
SMILESCCc1ncncc1F.[Al]
InChIInChI=1S/C6H7FN2.Al/c1-2-6-5(7)3-8-4-9-6;/h3-4H,2H2,1H3;
InChIKeyGNOAMOOTHFHDOF-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.80
Rot. Bonds1

About CID 174505326

CID 174505326 (PubChem CID 174505326) has the molecular formula C6H7AlFN2 and a molecular weight of 153.12 g/mol.

Molecular Properties

Compound NameCID 174505326
PubChem CID174505326
Molecular FormulaC6H7AlFN2
Molecular Weight153.12 g/mol
Exact Mass153.04
IUPAC Name—
SMILESCCc1ncncc1F.[Al]
InChIInChI=1S/C6H7FN2.Al/c1-2-6-5(7)3-8-4-9-6;/h3-4H,2H2,1H3;
InChIKeyGNOAMOOTHFHDOF-UHFFFAOYSA-N
XLogP0.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174505326?
The IUPAC name of CID 174505326 (CID 174505326) is not available.
What is the SMILES notation for CID 174505326?
The canonical SMILES for CID 174505326 is CCc1ncncc1F.[Al].
What is the InChIKey of CID 174505326?
The InChIKey is GNOAMOOTHFHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2.Al/c1-2-6-5(7)3-8-4-9-6;/h3-4H,2H2,1H3;.
What are the key properties of CID 174505326?
CID 174505326 has a molecular weight of 153.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174505326 is sourced from PubChem (CID 174505326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).