1-(2-bromophenyl)-5-propan-2-yltetrazole

C10H11BrN4 — CID 62076489

IUPAC1-(2-bromophenyl)-5-propan-2-yltetrazole
SMILESCC(C)c1nnnn1-c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-7(2)10-12-13-14-15(10)9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyHXQXJPYXPOUXSP-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-bromophenyl)-5-propan-2-yltetrazole

1-(2-bromophenyl)-5-propan-2-yltetrazole (PubChem CID 62076489) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-propan-2-yltetrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-propan-2-yltetrazole
PubChem CID62076489
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name1-(2-bromophenyl)-5-propan-2-yltetrazole
SMILESCC(C)c1nnnn1-c1ccccc1Br
InChIInChI=1S/C10H11BrN4/c1-7(2)10-12-13-14-15(10)9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyHXQXJPYXPOUXSP-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-propan-2-yltetrazole?
The IUPAC name of 1-(2-bromophenyl)-5-propan-2-yltetrazole (CID 62076489) is 1-(2-bromophenyl)-5-propan-2-yltetrazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-propan-2-yltetrazole?
The canonical SMILES for 1-(2-bromophenyl)-5-propan-2-yltetrazole is CC(C)c1nnnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-propan-2-yltetrazole?
The InChIKey is HXQXJPYXPOUXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-7(2)10-12-13-14-15(10)9-6-4-3-5-8(9)11/h3-7H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-5-propan-2-yltetrazole?
1-(2-bromophenyl)-5-propan-2-yltetrazole has a molecular weight of 267.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-propan-2-yltetrazole is sourced from PubChem (CID 62076489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).