2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline

C11H12F2N4O — CID 62710218

IUPAC2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
SMILESCOCCn1cnnc1-c1cc(N)c(F)cc1F
InChIInChI=1S/C11H12F2N4O/c1-18-3-2-17-6-15-16-11(17)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3
InChIKeyZHHNXVLCLRGMOV-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.45
Rot. Bonds4

About 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline

2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline (PubChem CID 62710218) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline.

Molecular Properties

Compound Name2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
PubChem CID62710218
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
SMILESCOCCn1cnnc1-c1cc(N)c(F)cc1F
InChIInChI=1S/C11H12F2N4O/c1-18-3-2-17-6-15-16-11(17)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3
InChIKeyZHHNXVLCLRGMOV-UHFFFAOYSA-N
XLogP1.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.45
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 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline?
The IUPAC name of 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline (CID 62710218) is 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline.
What is the SMILES notation for 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline?
The canonical SMILES for 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline is COCCn1cnnc1-c1cc(N)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline?
The InChIKey is ZHHNXVLCLRGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-18-3-2-17-6-15-16-11(17)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3.
What are the key properties of 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline?
2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline has a molecular weight of 254.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline is sourced from PubChem (CID 62710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).