1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine

C14H12BrN5O — CID 162643701

IUPAC1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(Nc2nnnn2-c2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-7-5-11(6-8-13)16-14-17-18-19-20(14)12-4-2-3-10(15)9-12/h2-9H,1H3,(H,16,17,19)
InChIKeySPAXPYZEAVBYJX-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine

1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine (PubChem CID 162643701) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine
PubChem CID162643701
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(Nc2nnnn2-c2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-7-5-11(6-8-13)16-14-17-18-19-20(14)12-4-2-3-10(15)9-12/h2-9H,1H3,(H,16,17,19)
InChIKeySPAXPYZEAVBYJX-UHFFFAOYSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine (CID 162643701) is 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine is COc1ccc(Nc2nnnn2-c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine?
The InChIKey is SPAXPYZEAVBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-21-13-7-5-11(6-8-13)16-14-17-18-19-20(14)12-4-2-3-10(15)9-12/h2-9H,1H3,(H,16,17,19).
What are the key properties of 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine?
1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine has a molecular weight of 346.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(4-methoxyphenyl)tetrazol-5-amine is sourced from PubChem (CID 162643701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).