3-(4-bromophenyl)-5-phenyltriazol-4-amine

C14H11BrN4 — CID 2825093

IUPAC3-(4-bromophenyl)-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4/c15-11-6-8-12(9-7-11)19-14(16)13(17-18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyWYKKTMOGJWNJQI-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-bromophenyl)-5-phenyltriazol-4-amine

3-(4-bromophenyl)-5-phenyltriazol-4-amine (PubChem CID 2825093) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-phenyltriazol-4-amine
PubChem CID2825093
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name3-(4-bromophenyl)-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4/c15-11-6-8-12(9-7-11)19-14(16)13(17-18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyWYKKTMOGJWNJQI-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-phenyltriazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-5-phenyltriazol-4-amine (CID 2825093) is 3-(4-bromophenyl)-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-5-phenyltriazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-5-phenyltriazol-4-amine is Nc1c(-c2ccccc2)nnn1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-phenyltriazol-4-amine?
The InChIKey is WYKKTMOGJWNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-6-8-12(9-7-11)19-14(16)13(17-18-19)10-4-2-1-3-5-10/h1-9H,16H2.
What are the key properties of 3-(4-bromophenyl)-5-phenyltriazol-4-amine?
3-(4-bromophenyl)-5-phenyltriazol-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-phenyltriazol-4-amine is sourced from PubChem (CID 2825093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).