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

C9H10N4O — CID 82512225

IUPAC4-methoxy-3-(1,2,4-triazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cncn1
InChIInChI=1S/C9H10N4O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,10H2,1H3
InChIKeyHUIRXTZUXAXCOI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.86
Rot. Bonds2

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

4-methoxy-3-(1,2,4-triazol-1-yl)aniline (PubChem CID 82512225) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-methoxy-3-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(1,2,4-triazol-1-yl)aniline
PubChem CID82512225
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-methoxy-3-(1,2,4-triazol-1-yl)aniline
SMILESCOc1ccc(N)cc1-n1cncn1
InChIInChI=1S/C9H10N4O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,10H2,1H3
InChIKeyHUIRXTZUXAXCOI-UHFFFAOYSA-N
XLogP0.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.86
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-iodo-4-(1,2,4-triazol-1-yl)aniline
CID 66094610
3-methoxy-4-(1,2,4-triazol-1-yl)benzaldehyde
CID 84671353
[2-methoxy-6-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 84672375
2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
CID 172704588
4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline
CID 82513081
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
CID 82369844
3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
CID 82512676
3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004356
4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxyaniline
CID 58917217

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 4-methoxy-3-(1,2,4-triazol-1-yl)aniline (CID 82512225) is 4-methoxy-3-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 4-methoxy-3-(1,2,4-triazol-1-yl)aniline is COc1ccc(N)cc1-n1cncn1.
What is the InChIKey of 4-methoxy-3-(1,2,4-triazol-1-yl)aniline?
The InChIKey is HUIRXTZUXAXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-9-3-2-7(10)4-8(9)13-6-11-5-12-13/h2-6H,10H2,1H3.
What are the key properties of 4-methoxy-3-(1,2,4-triazol-1-yl)aniline?
4-methoxy-3-(1,2,4-triazol-1-yl)aniline has a molecular weight of 190.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 82512225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).