7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C16H12Br2ClN5 — CID 137036821

IUPAC7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(Br)cc1C1CC(c2cccc(Br)c2)Nc2nnnn21
InChIInChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)
InChIKeyFFJYBALXSFFKRZ-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.00
Rot. Bonds2

About 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 137036821) has the molecular formula C16H12Br2ClN5 and a molecular weight of 469.57 g/mol. Its IUPAC name is 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID137036821
Molecular FormulaC16H12Br2ClN5
Molecular Weight469.57 g/mol
Exact Mass466.91
IUPAC Name7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(Br)cc1C1CC(c2cccc(Br)c2)Nc2nnnn21
InChIInChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)
InChIKeyFFJYBALXSFFKRZ-UHFFFAOYSA-N
XLogP5.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(5s,7r)-5,7-Bis(3-Bromophenyl)-4,5,6,7-Tetrahydrotetrazolo[1,5-A]pyrimidine
CID 136075559
Hbf-0259
CID 4165150
(5S,7R)-5-(3-bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 1278684
5-(3-Bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 3236829
5-(3-Bromophenyl)-7-(2-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135732805
5,7-Bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135732822
(5S,7R)-5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268869
5-(3-Bromophenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268870
(5S,7R)-5-(3-bromophenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268871
(5S,7R)-5-(3-bromo-5-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268873
7-(2-Chlorophenyl)-5-(3-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268874
5-(3-Bromophenyl)-7-(2-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268875

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 137036821) is 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(Br)cc1C1CC(c2cccc(Br)c2)Nc2nnnn21.
What is the InChIKey of 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FFJYBALXSFFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23).
What are the key properties of 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 469.57 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-chlorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).