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

C15H11BrN4O — CID 2933809

IUPAC5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1
InChIInChI=1S/C15H11BrN4O/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19)
InChIKeyONUKEHKGPGJRRA-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.69
Rot. Bonds2

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

5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 2933809) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID2933809
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1
InChIInChI=1S/C15H11BrN4O/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19)
InChIKeyONUKEHKGPGJRRA-UHFFFAOYSA-N
XLogP3.69
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3574213
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-(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
N-{3-[7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide
CID 3688325
Benzyl 7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135515081
7-(Furan-2-yl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3250887

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 2933809) is 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Brc1ccc(C2=CC(c3ccco3)n3ncnc3N2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ONUKEHKGPGJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19).
What are the key properties of 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 343.18 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2933809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).