5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H10BrN5O — CID 3574213

IUPAC5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3ccco3)n3nnnc3N2)cc1
InChIInChI=1S/C14H10BrN5O/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyABMQAURIRUUZLZ-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.08
Rot. Bonds2

About 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3574213) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3574213
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3ccco3)n3nnnc3N2)cc1
InChIInChI=1S/C14H10BrN5O/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyABMQAURIRUUZLZ-UHFFFAOYSA-N
XLogP3.08
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
7-(5-Bromo-2-furyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932011
5-(4-Chlorophenyl)-7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932207
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2933809
5-(2-Chlorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3723129
5-(2-Chlorophenyl)-7-(2-furyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2953206
7-(Furan-2-YL)-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 3294570
7-(Furan-2-yl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3250887
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-propyl-2H-tetrazol-5-amine
CID 18778282
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-tetrazol-5-amine
CID 18778298

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3574213) is 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Brc1ccc(C2=CC(c3ccco3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ABMQAURIRUUZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19).
What are the key properties of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 344.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3574213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).