5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C13H10BrN7 — CID 177436573

IUPAC5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3cnc[nH]3)n3nnnc3N2)cc1
InChIInChI=1S/C13H10BrN7/c14-9-3-1-8(2-4-9)10-5-12(11-6-15-7-16-11)21-13(17-10)18-19-20-21/h1-7,12H,(H,15,16)(H,17,18,20)
InChIKeyUQXIATKVIJCHJZ-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.21
Rot. Bonds2

About 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 177436573) has the molecular formula C13H10BrN7 and a molecular weight of 344.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID177436573
Molecular FormulaC13H10BrN7
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(C2=CC(c3cnc[nH]3)n3nnnc3N2)cc1
InChIInChI=1S/C13H10BrN7/c14-9-3-1-8(2-4-9)10-5-12(11-6-15-7-16-11)21-13(17-10)18-19-20-21/h1-7,12H,(H,15,16)(H,17,18,20)
InChIKeyUQXIATKVIJCHJZ-UHFFFAOYSA-N
XLogP2.21
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3739128
(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136856742
4-[(7R)-5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 1327404
7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4188889
4-[5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2921747
(7S)-5-(4-bromophenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1422464
(7S)-7-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2222407
5-(4-bromophenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4099532
5-(4-bromophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4132155
7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4172576
(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1251261
(7S)-7-(4-bromophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852403

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 177436573) is 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Brc1ccc(C2=CC(c3cnc[nH]3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is UQXIATKVIJCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN7/c14-9-3-1-8(2-4-9)10-5-12(11-6-15-7-16-11)21-13(17-10)18-19-20-21/h1-7,12H,(H,15,16)(H,17,18,20).
What are the key properties of 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 344.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177436573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).