7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H14FN5O — CID 3811200

IUPAC7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3ccccc3F)n3nnnc3N2)c1
InChIInChI=1S/C17H14FN5O/c1-24-12-6-4-5-11(9-12)15-10-16(13-7-2-3-8-14(13)18)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)
InChIKeyXQBCHVXXYDJCPI-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.88
Rot. Bonds3

About 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3811200) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3811200
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3ccccc3F)n3nnnc3N2)c1
InChIInChI=1S/C17H14FN5O/c1-24-12-6-4-5-11(9-12)15-10-16(13-7-2-3-8-14(13)18)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)
InChIKeyXQBCHVXXYDJCPI-UHFFFAOYSA-N
XLogP2.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3811200) is 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cccc(C2=CC(c3ccccc3F)n3nnnc3N2)c1.
What is the InChIKey of 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XQBCHVXXYDJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-24-12-6-4-5-11(9-12)15-10-16(13-7-2-3-8-14(13)18)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22).
What are the key properties of 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 323.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3811200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).