(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C16H12BrN5 — CID 1251261

IUPAC(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1cccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)c1
InChIInChI=1S/C16H12BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)/t15-/m1/s1
InChIKeyCOIHNZODOMDKEU-OAHLLOKOSA-N
MW354.21 g/mol
LogP3.49
Rot. Bonds2

About (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 1251261) has the molecular formula C16H12BrN5 and a molecular weight of 354.21 g/mol. Its IUPAC name is (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID1251261
Molecular FormulaC16H12BrN5
Molecular Weight354.21 g/mol
Exact Mass353.03
IUPAC Name(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1cccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)c1
InChIInChI=1S/C16H12BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)/t15-/m1/s1
InChIKeyCOIHNZODOMDKEU-OAHLLOKOSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5s,7r)-5,7-Bis(3-Bromophenyl)-4,5,6,7-Tetrahydrotetrazolo[1,5-A]pyrimidine
CID 136075559
5-Methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3659941
5-Phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 727137
(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
(5S,7R)-5-(3-bromo-5-fluorophenyl)-7-phenyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268873
5-(3-Bromophenyl)-7-(2-iodophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268875
(5S,7R)-7-(3-bromo-2,6-difluorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136268880
7-(2-Bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136626706

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 1251261) is (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Brc1cccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)c1.
What is the InChIKey of (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is COIHNZODOMDKEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-10,15H,(H,18,19,21)/t15-/m1/s1.
What are the key properties of (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 354.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1251261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).