5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C17H16BrN5 — CID 3244568

IUPAC5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CC(c3cccc(Br)c3)Nc3nnnn32)cc1
InChIInChI=1S/C17H16BrN5/c1-11-5-7-12(8-6-11)16-10-15(13-3-2-4-14(18)9-13)19-17-20-21-22-23(16)17/h2-9,15-16H,10H2,1H3,(H,19,20,22)
InChIKeyYOMGINJWFUSWSE-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.89
Rot. Bonds2

About 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3244568) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID3244568
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2CC(c3cccc(Br)c3)Nc3nnnn32)cc1
InChIInChI=1S/C17H16BrN5/c1-11-5-7-12(8-6-11)16-10-15(13-3-2-4-14(18)9-13)19-17-20-21-22-23(16)17/h2-9,15-16H,10H2,1H3,(H,19,20,22)
InChIKeyYOMGINJWFUSWSE-UHFFFAOYSA-N
XLogP3.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 3244568) is 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2CC(c3cccc(Br)c3)Nc3nnnn32)cc1.
What is the InChIKey of 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YOMGINJWFUSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c1-11-5-7-12(8-6-11)16-10-15(13-3-2-4-14(18)9-13)19-17-20-21-22-23(16)17/h2-9,15-16H,10H2,1H3,(H,19,20,22).
What are the key properties of 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 370.25 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3244568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).