5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C16H10Br2FN5 — CID 123530026

IUPAC5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)cc(C2=Nc3nnnn3C(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C16H10Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,15H,8H2
InChIKeyKVWZLQDLIDZAAN-UHFFFAOYSA-N
MW451.10 g/mol
LogP4.45
Rot. Bonds2

About 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 123530026) has the molecular formula C16H10Br2FN5 and a molecular weight of 451.10 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID123530026
Molecular FormulaC16H10Br2FN5
Molecular Weight451.10 g/mol
Exact Mass448.93
IUPAC Name5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cc(Br)cc(C2=Nc3nnnn3C(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C16H10Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,15H,8H2
InChIKeyKVWZLQDLIDZAAN-UHFFFAOYSA-N
XLogP4.45
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.10
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640847
7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91899145
4-[5-(4-fluorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 75637357
5-(4-bromophenyl)-7-(2-chlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75637505
(5R,7S)-5-(3-bromo-5-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 137036816
5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640123
9-(3-bromophenyl)-6,7,8a,9-tetrahydro-5H-tetrazolo[5,1-b]quinazolin-8-one
CID 170921504
7-(2-methoxyphenyl)-5-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75663939
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
7-phenyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 74549053
(5S,7R)-5-(3-bromophenyl)-7-(3-chloro-2-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 137144285
(5S,7R)-5-(3-bromophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 1278684

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 123530026) is 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1cc(Br)cc(C2=Nc3nnnn3C(c3cccc(Br)c3)C2)c1.
What is the InChIKey of 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is KVWZLQDLIDZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,15H,8H2.
What are the key properties of 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 451.10 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123530026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).