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

C16H11ClFN5 — CID 3149402

IUPAC7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccc(Cl)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H11ClFN5/c17-12-5-1-11(2-6-12)15-9-14(10-3-7-13(18)8-4-10)19-16-20-21-22-23(15)16/h1-9,15H,(H,19,20,22)
InChIKeyXCJWPTPCGFSNFQ-UHFFFAOYSA-N
MW327.75 g/mol
LogP3.52
Rot. Bonds2

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

7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3149402) has the molecular formula C16H11ClFN5 and a molecular weight of 327.75 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3149402
Molecular FormulaC16H11ClFN5
Molecular Weight327.75 g/mol
Exact Mass327.07
IUPAC Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3ccc(Cl)cc3)n3nnnc3N2)cc1
InChIInChI=1S/C16H11ClFN5/c17-12-5-1-11(2-6-12)15-9-14(10-3-7-13(18)8-4-10)19-16-20-21-22-23(15)16/h1-9,15H,(H,19,20,22)
InChIKeyXCJWPTPCGFSNFQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3149402) is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3ccc(Cl)cc3)n3nnnc3N2)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XCJWPTPCGFSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5/c17-12-5-1-11(2-6-12)15-9-14(10-3-7-13(18)8-4-10)19-16-20-21-22-23(15)16/h1-9,15H,(H,19,20,22).
What are the key properties of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 327.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3149402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).