1-(4-bromo-2-methylphenyl)-5-propyltetrazole

C11H13BrN4 — CID 62083280

IUPAC1-(4-bromo-2-methylphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccc(Br)cc1C
InChIInChI=1S/C11H13BrN4/c1-3-4-11-13-14-15-16(11)10-6-5-9(12)7-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyLOVZEBATTDIEOU-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-5-propyltetrazole

1-(4-bromo-2-methylphenyl)-5-propyltetrazole (PubChem CID 62083280) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-propyltetrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-propyltetrazole
PubChem CID62083280
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-(4-bromo-2-methylphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccc(Br)cc1C
InChIInChI=1S/C11H13BrN4/c1-3-4-11-13-14-15-16(11)10-6-5-9(12)7-8(10)2/h5-7H,3-4H2,1-2H3
InChIKeyLOVZEBATTDIEOU-UHFFFAOYSA-N
XLogP2.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-propyltetrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-propyltetrazole (CID 62083280) is 1-(4-bromo-2-methylphenyl)-5-propyltetrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-propyltetrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-propyltetrazole is CCCc1nnnn1-c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-propyltetrazole?
The InChIKey is LOVZEBATTDIEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-3-4-11-13-14-15-16(11)10-6-5-9(12)7-8(10)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-propyltetrazole?
1-(4-bromo-2-methylphenyl)-5-propyltetrazole has a molecular weight of 281.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-propyltetrazole is sourced from PubChem (CID 62083280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).