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

C17H14FN5 — CID 4586822

IUPAC7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3cccc(F)c3)n3nnnc3N2)cc1
InChIInChI=1S/C17H14FN5/c1-11-5-7-12(8-6-11)15-10-16(13-3-2-4-14(18)9-13)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)
InChIKeyCDJGSGUXGIRGKM-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.18
Rot. Bonds2

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

7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4586822) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4586822
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3cccc(F)c3)n3nnnc3N2)cc1
InChIInChI=1S/C17H14FN5/c1-11-5-7-12(8-6-11)15-10-16(13-3-2-4-14(18)9-13)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22)
InChIKeyCDJGSGUXGIRGKM-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4586822) is 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2=CC(c3cccc(F)c3)n3nnnc3N2)cc1.
What is the InChIKey of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is CDJGSGUXGIRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-11-5-7-12(8-6-11)15-10-16(13-3-2-4-14(18)9-13)23-17(19-15)20-21-22-23/h2-10,16H,1H3,(H,19,20,22).
What are the key properties of 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 307.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4586822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).