7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C16H13Br2N5 — CID 136626706

IUPAC7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1cccc(C2CC(c3ccccc3Br)n3nnnc3N2)c1
InChIInChI=1S/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)
InChIKeyRCAPLHGMKCGGHB-UHFFFAOYSA-N
MW435.12 g/mol
LogP4.34
Rot. Bonds2

About 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136626706) has the molecular formula C16H13Br2N5 and a molecular weight of 435.12 g/mol. Its IUPAC name is 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136626706
Molecular FormulaC16H13Br2N5
Molecular Weight435.12 g/mol
Exact Mass432.95
IUPAC Name7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESBrc1cccc(C2CC(c3ccccc3Br)n3nnnc3N2)c1
InChIInChI=1S/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)
InChIKeyRCAPLHGMKCGGHB-UHFFFAOYSA-N
XLogP4.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.12
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136626706) is 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Brc1cccc(C2CC(c3ccccc3Br)n3nnnc3N2)c1.
What is the InChIKey of 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is RCAPLHGMKCGGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22).
What are the key properties of 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 435.12 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136626706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).