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

C14H12BrN5O — CID 162654971

IUPACN-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(-n2nnnc2Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19)
InChIKeyLQTKPIJSBIBDLM-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.18
Rot. Bonds4

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

N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine (PubChem CID 162654971) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
PubChem CID162654971
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(-n2nnnc2Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19)
InChIKeyLQTKPIJSBIBDLM-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The IUPAC name of N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine (CID 162654971) is N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The canonical SMILES for N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine is COc1ccc(-n2nnnc2Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The InChIKey is LQTKPIJSBIBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19).
What are the key properties of N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
N-(3-bromophenyl)-1-(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 N-(3-bromophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine is sourced from PubChem (CID 162654971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).