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

C16H11F2N5 — CID 3452280

IUPAC5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H11F2N5/c17-12-5-1-10(2-6-12)14-9-15(11-3-7-13(18)8-4-11)23-16(19-14)20-21-22-23/h1-9,15H,(H,19,20,22)
InChIKeyIEGLXBSNUHONMR-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.01
Rot. Bonds2

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

5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3452280) has the molecular formula C16H11F2N5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3452280
Molecular FormulaC16H11F2N5
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H11F2N5/c17-12-5-1-10(2-6-12)14-9-15(11-3-7-13(18)8-4-11)23-16(19-14)20-21-22-23/h1-9,15H,(H,19,20,22)
InChIKeyIEGLXBSNUHONMR-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3452280) is 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3ccc(F)cc3)n3nnnc3N2)cc1.
What is the InChIKey of 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is IEGLXBSNUHONMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5/c17-12-5-1-10(2-6-12)14-9-15(11-3-7-13(18)8-4-11)23-16(19-14)20-21-22-23/h1-9,15H,(H,19,20,22).
What are the key properties of 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 311.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3452280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).