5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C16H12FN5 — CID 2921054

IUPAC5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H12FN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)
InChIKeyHHBAICIZDABMCI-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.87
Rot. Bonds2

About 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2921054) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2921054
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H12FN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)
InChIKeyHHBAICIZDABMCI-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2921054) is 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3ccccc3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is HHBAICIZDABMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21).
What are the key properties of 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 293.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2921054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).