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

C16H10BrCl2N5 — CID 3739128

IUPAC5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C16H10BrCl2N5/c17-10-3-1-9(2-4-10)14-8-15(24-16(20-14)21-22-23-24)12-6-5-11(18)7-13(12)19/h1-8,15H,(H,20,21,23)
InChIKeyZFRXWBAVTKMDCD-UHFFFAOYSA-N
MW423.10 g/mol
LogP4.80
Rot. Bonds2

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

5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3739128) has the molecular formula C16H10BrCl2N5 and a molecular weight of 423.10 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3739128
Molecular FormulaC16H10BrCl2N5
Molecular Weight423.10 g/mol
Exact Mass420.95
IUPAC Name5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESClc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(Cl)c1
InChIInChI=1S/C16H10BrCl2N5/c17-10-3-1-9(2-4-10)14-8-15(24-16(20-14)21-22-23-24)12-6-5-11(18)7-13(12)19/h1-8,15H,(H,20,21,23)
InChIKeyZFRXWBAVTKMDCD-UHFFFAOYSA-N
XLogP4.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3739128) is 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Clc1ccc(C2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(Cl)c1.
What is the InChIKey of 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ZFRXWBAVTKMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2N5/c17-10-3-1-9(2-4-10)14-8-15(24-16(20-14)21-22-23-24)12-6-5-11(18)7-13(12)19/h1-8,15H,(H,20,21,23).
What are the key properties of 5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 423.10 g/mol, XLogP of 4.80, 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-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3739128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).