5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol

C17H14FN5O2 — CID 3551894

IUPAC5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol
SMILESCOc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1O
InChIInChI=1S/C17H14FN5O2/c1-25-16-7-4-11(8-15(16)24)14-9-13(10-2-5-12(18)6-3-10)19-17-20-21-22-23(14)17/h2-9,14,24H,1H3,(H,19,20,22)
InChIKeyJQMQQAPLIZODTQ-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.58
Rot. Bonds3

About 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol

5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol (PubChem CID 3551894) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol
PubChem CID3551894
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol
SMILESCOc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1O
InChIInChI=1S/C17H14FN5O2/c1-25-16-7-4-11(8-15(16)24)14-9-13(10-2-5-12(18)6-3-10)19-17-20-21-22-23(14)17/h2-9,14,24H,1H3,(H,19,20,22)
InChIKeyJQMQQAPLIZODTQ-UHFFFAOYSA-N
XLogP2.58
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol?
The IUPAC name of 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol (CID 3551894) is 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol?
The canonical SMILES for 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol is COc1ccc(C2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1O.
What is the InChIKey of 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol?
The InChIKey is JQMQQAPLIZODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-25-16-7-4-11(8-15(16)24)14-9-13(10-2-5-12(18)6-3-10)19-17-20-21-22-23(14)17/h2-9,14,24H,1H3,(H,19,20,22).
What are the key properties of 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol?
5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol has a molecular weight of 339.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol is sourced from PubChem (CID 3551894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).