7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H14FN5O — CID 91899112

IUPAC7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3nnnn3C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H14FN5O/c1-24-14-8-4-11(5-9-14)15-10-16(12-2-6-13(18)7-3-12)23-17(19-15)20-21-22-23/h2-9,16H,10H2,1H3
InChIKeyJAGVMVQNTKMYTG-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.93
Rot. Bonds3

About 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 91899112) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID91899112
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3nnnn3C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H14FN5O/c1-24-14-8-4-11(5-9-14)15-10-16(12-2-6-13(18)7-3-12)23-17(19-15)20-21-22-23/h2-9,16H,10H2,1H3
InChIKeyJAGVMVQNTKMYTG-UHFFFAOYSA-N
XLogP2.93
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 91899112) is 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=Nc3nnnn3C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is JAGVMVQNTKMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-24-14-8-4-11(5-9-14)15-10-16(12-2-6-13(18)7-3-12)23-17(19-15)20-21-22-23/h2-9,16H,10H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 323.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91899112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).