4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline

C15H14N4O — CID 115412400

IUPAC4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCOc1ccc(N)c(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c1-20-12-7-8-14(16)13(9-12)15-18-17-10-19(15)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKeyQFSXMEMBSLCPCW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds3

About 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline

4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline (PubChem CID 115412400) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
PubChem CID115412400
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCOc1ccc(N)c(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c1-20-12-7-8-14(16)13(9-12)15-18-17-10-19(15)11-5-3-2-4-6-11/h2-10H,16H2,1H3
InChIKeyQFSXMEMBSLCPCW-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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Related Compounds

3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
4-bromo-3-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115297043
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
4-methoxy-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 115411712
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyaniline
CID 113305107
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
CID 61376569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline (CID 115412400) is 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline is COc1ccc(N)c(-c2nncn2-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is QFSXMEMBSLCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-12-7-8-14(16)13(9-12)15-18-17-10-19(15)11-5-3-2-4-6-11/h2-10H,16H2,1H3.
What are the key properties of 4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline?
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-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-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 115412400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).