4-[1-(4-methoxyphenyl)triazol-4-yl]aniline

C15H14N4O — CID 11514516

IUPAC4-[1-(4-methoxyphenyl)triazol-4-yl]aniline
SMILESCOc1ccc(-n2cc(-c3ccc(N)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3
InChIKeyLQFDJTXNUWEKKI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline

4-[1-(4-methoxyphenyl)triazol-4-yl]aniline (PubChem CID 11514516) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)triazol-4-yl]aniline
PubChem CID11514516
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[1-(4-methoxyphenyl)triazol-4-yl]aniline
SMILESCOc1ccc(-n2cc(-c3ccc(N)cc3)nn2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3
InChIKeyLQFDJTXNUWEKKI-UHFFFAOYSA-N
XLogP2.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-[1-(4-methoxyphenyl)triazol-4-yl]aniline?
The IUPAC name of 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline (CID 11514516) is 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline?
The canonical SMILES for 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline is COc1ccc(-n2cc(-c3ccc(N)cc3)nn2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline?
The InChIKey is LQFDJTXNUWEKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline?
4-[1-(4-methoxyphenyl)triazol-4-yl]aniline has a molecular weight of 266.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)triazol-4-yl]aniline is sourced from PubChem (CID 11514516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).