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

C16H11BrClN5 — CID 75637505

IUPAC5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1CC(c2ccc(Br)cc2)=Nc2nnnn21
InChIInChI=1S/C16H11BrClN5/c17-11-7-5-10(6-8-11)14-9-15(12-3-1-2-4-13(12)18)23-16(19-14)20-21-22-23/h1-8,15H,9H2
InChIKeyCPJYNPISQPWUDN-UHFFFAOYSA-N
MW388.66 g/mol
LogP4.20
Rot. Bonds2

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

5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 75637505) has the molecular formula C16H11BrClN5 and a molecular weight of 388.66 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID75637505
Molecular FormulaC16H11BrClN5
Molecular Weight388.66 g/mol
Exact Mass386.99
IUPAC Name5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1CC(c2ccc(Br)cc2)=Nc2nnnn21
InChIInChI=1S/C16H11BrClN5/c17-11-7-5-10(6-8-11)14-9-15(12-3-1-2-4-13(12)18)23-16(19-14)20-21-22-23/h1-8,15H,9H2
InChIKeyCPJYNPISQPWUDN-UHFFFAOYSA-N
XLogP4.20
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640123
5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634953
7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75663939
7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640847
5-(4-bromophenyl)-7-(2-fluorophenyl)-2-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75663055
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858
5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 123530026
7-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640097
7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91899145
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
1-[[(3S)-5-(4-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]methyl]indole-2,3-dione
CID 41038477
(5R,10bS)-2-(4-bromophenyl)-7,9-dichloro-5-(2-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 93233090

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 75637505) is 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccccc1C1CC(c2ccc(Br)cc2)=Nc2nnnn21.
What is the InChIKey of 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is CPJYNPISQPWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN5/c17-11-7-5-10(6-8-11)14-9-15(12-3-1-2-4-13(12)18)23-16(19-14)20-21-22-23/h1-8,15H,9H2.
What are the key properties of 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 388.66 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75637505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).