4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline

C14H13N5O — CID 82369844

IUPAC4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cc(-c2cccnc2)nn1
InChIInChI=1S/C14H13N5O/c1-20-14-5-4-11(15)7-13(14)19-9-12(17-18-19)10-3-2-6-16-8-10/h2-9H,15H2,1H3
InChIKeyLDUGZGBMQMRRQQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds3

About 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline

4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline (PubChem CID 82369844) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
PubChem CID82369844
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cc(-c2cccnc2)nn1
InChIInChI=1S/C14H13N5O/c1-20-14-5-4-11(15)7-13(14)19-9-12(17-18-19)10-3-2-6-16-8-10/h2-9H,15H2,1H3
InChIKeyLDUGZGBMQMRRQQ-UHFFFAOYSA-N
XLogP1.92
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369848
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
CID 156834081
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
4-[1-(2,4-dimethoxyphenyl)triazol-4-yl]aniline
CID 11702092
3,4-dimethyl-5-(4-pyridin-3-yltriazol-1-yl)benzoic acid
CID 21097296
4-(4-pyridin-3-yltriazol-1-yl)phenol
CID 50908754
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine
CID 46183505
4-methoxy-3-(1,2,4-triazol-1-yl)aniline
CID 82512225
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline?
The IUPAC name of 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline (CID 82369844) is 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline?
The canonical SMILES for 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline is COc1ccc(N)cc1-n1cc(-c2cccnc2)nn1.
What is the InChIKey of 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline?
The InChIKey is LDUGZGBMQMRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-14-5-4-11(15)7-13(14)19-9-12(17-18-19)10-3-2-6-16-8-10/h2-9H,15H2,1H3.
What are the key properties of 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline?
4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline has a molecular weight of 267.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline is sourced from PubChem (CID 82369844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).