2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline

C10H11FN4O — CID 172704588

IUPAC2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
SMILESCNc1c(-n2cncn2)ccc(OC)c1F
InChIInChI=1S/C10H11FN4O/c1-12-10-7(15-6-13-5-14-15)3-4-8(16-2)9(10)11/h3-6,12H,1-2H3
InChIKeyDKLGNHRIZMVFKD-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.46
Rot. Bonds3

About 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline

2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline (PubChem CID 172704588) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
PubChem CID172704588
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
SMILESCNc1c(-n2cncn2)ccc(OC)c1F
InChIInChI=1S/C10H11FN4O/c1-12-10-7(15-6-13-5-14-15)3-4-8(16-2)9(10)11/h3-6,12H,1-2H3
InChIKeyDKLGNHRIZMVFKD-UHFFFAOYSA-N
XLogP1.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline (CID 172704588) is 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline is CNc1c(-n2cncn2)ccc(OC)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline?
The InChIKey is DKLGNHRIZMVFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-12-10-7(15-6-13-5-14-15)3-4-8(16-2)9(10)11/h3-6,12H,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline?
2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline has a molecular weight of 222.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 172704588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).