4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline

C20H17N5 — CID 122188132

IUPAC4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline
SMILESNc1ccc(-c2cnn(-c3ccccc3-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C20H17N5/c21-16-9-5-14(6-10-16)18-3-1-2-4-20(18)25-23-13-19(24-25)15-7-11-17(22)12-8-15/h1-13H,21-22H2
InChIKeyGDDOZAMMMZXFDL-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.77
Rot. Bonds3

About 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline

4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline (PubChem CID 122188132) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline
PubChem CID122188132
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline
SMILESNc1ccc(-c2cnn(-c3ccccc3-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C20H17N5/c21-16-9-5-14(6-10-16)18-3-1-2-4-20(18)25-23-13-19(24-25)15-7-11-17(22)12-8-15/h1-13H,21-22H2
InChIKeyGDDOZAMMMZXFDL-UHFFFAOYSA-N
XLogP3.77
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline?
The IUPAC name of 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline (CID 122188132) is 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline?
The canonical SMILES for 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline is Nc1ccc(-c2cnn(-c3ccccc3-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline?
The InChIKey is GDDOZAMMMZXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-16-9-5-14(6-10-16)18-3-1-2-4-20(18)25-23-13-19(24-25)15-7-11-17(22)12-8-15/h1-13H,21-22H2.
What are the key properties of 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline?
4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline has a molecular weight of 327.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-aminophenyl)triazol-2-yl]phenyl]aniline is sourced from PubChem (CID 122188132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).