3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline

C10H11FN4 — CID 62564168

IUPAC3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESFc1cccc(NCCn2cncn2)c1
InChIInChI=1S/C10H11FN4/c11-9-2-1-3-10(6-9)13-4-5-15-8-12-7-14-15/h1-3,6-8,13H,4-5H2
InChIKeyLPDPZVBOULCPLN-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.53
Rot. Bonds4

About 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline

3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline (PubChem CID 62564168) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
PubChem CID62564168
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESFc1cccc(NCCn2cncn2)c1
InChIInChI=1S/C10H11FN4/c11-9-2-1-3-10(6-9)13-4-5-15-8-12-7-14-15/h1-3,6-8,13H,4-5H2
InChIKeyLPDPZVBOULCPLN-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline (CID 62564168) is 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline is Fc1cccc(NCCn2cncn2)c1.
What is the InChIKey of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
The InChIKey is LPDPZVBOULCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-9-2-1-3-10(6-9)13-4-5-15-8-12-7-14-15/h1-3,6-8,13H,4-5H2.
What are the key properties of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline?
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline has a molecular weight of 206.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62564168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).