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

C10H12N4O — CID 90135673

IUPAC2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
SMILESCOc1c(N)cccc1-c1ncn(C)n1
InChIInChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3
InChIKeyFIAZRZSVFOMYSD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds2

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

2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 90135673) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID90135673
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline
SMILESCOc1c(N)cccc1-c1ncn(C)n1
InChIInChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3
InChIKeyFIAZRZSVFOMYSD-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline (CID 90135673) is 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is COc1c(N)cccc1-c1ncn(C)n1.
What is the InChIKey of 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is FIAZRZSVFOMYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-4-3-5-8(11)9(7)15-2/h3-6H,11H2,1-2H3.
What are the key properties of 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline?
2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 204.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 90135673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).