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

C17H14BrN5 — CID 136856742

IUPAC(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21
InChIInChI=1S/C17H14BrN5/c1-11-4-2-3-5-14(11)16-10-15(12-6-8-13(18)9-7-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22)/t16-/m1/s1
InChIKeyWZBZVZRLRKGEFF-MRXNPFEDSA-N
MW368.24 g/mol
LogP3.80
Rot. Bonds2

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

(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136856742) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136856742
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC Name(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21
InChIInChI=1S/C17H14BrN5/c1-11-4-2-3-5-14(11)16-10-15(12-6-8-13(18)9-7-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22)/t16-/m1/s1
InChIKeyWZBZVZRLRKGEFF-MRXNPFEDSA-N
XLogP3.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4132155
7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4188889
5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3739128
4-[2-fluoro-4-[(7R)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-5-yl]phenyl]morpholine
CID 135800446
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
4-[(7R)-5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 1327404
4-[5-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2921747
7-(2-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3784860
5-(4-bromophenyl)-7-(1H-imidazol-5-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 177436573
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7S)-7-(2,3-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2016402
(7S)-5-(4-bromophenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1422464

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136856742) is (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21.
What is the InChIKey of (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is WZBZVZRLRKGEFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-11-4-2-3-5-14(11)16-10-15(12-6-8-13(18)9-7-12)19-17-20-21-22-23(16)17/h2-10,16H,1H3,(H,19,20,22)/t16-/m1/s1.
What are the key properties of (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 368.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-bromophenyl)-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136856742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).