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

C10H12N4O — CID 59577818

IUPAC3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1cnc(C)n1
InChIInChI=1S/C10H12N4O/c1-7-12-6-14(13-7)9-4-3-8(11)5-10(9)15-2/h3-6H,11H2,1-2H3
InChIKeyQAEZYXQJVATDHA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds2

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

3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline (PubChem CID 59577818) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
PubChem CID59577818
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
SMILESCOc1cc(N)ccc1-n1cnc(C)n1
InChIInChI=1S/C10H12N4O/c1-7-12-6-14(13-7)9-4-3-8(11)5-10(9)15-2/h3-6H,11H2,1-2H3
InChIKeyQAEZYXQJVATDHA-UHFFFAOYSA-N
XLogP1.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
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 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline?
The IUPAC name of 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline (CID 59577818) is 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline is COc1cc(N)ccc1-n1cnc(C)n1.
What is the InChIKey of 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline?
The InChIKey is QAEZYXQJVATDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-12-6-14(13-7)9-4-3-8(11)5-10(9)15-2/h3-6H,11H2,1-2H3.
What are the key properties of 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline?
3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline has a molecular weight of 204.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 59577818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).