2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine

C10H11FN4 — CID 83820004

IUPAC2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c11-8-1-3-9(4-2-8)15-7-13-10(14-15)5-6-12/h1-4,7H,5-6,12H2
InChIKeyMHDCYJVIIDCBRK-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.91
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine

2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 83820004) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID83820004
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1ncn(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H11FN4/c11-8-1-3-9(4-2-8)15-7-13-10(14-15)5-6-12/h1-4,7H,5-6,12H2
InChIKeyMHDCYJVIIDCBRK-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(4-fluorophenyl)-1,2,4-triazole
CID 91025299
1-(4-fluorophenyl)-1,2,4-triazol-3-amine
CID 115015065
2-[4-chloro-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 83898598
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
[1-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62951079
[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83819506
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
5-(2-aminoethyl)-2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 136999576
3-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]propanoyl chloride
CID 58775734
4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline
CID 141055076
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine (CID 83820004) is 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine is NCCc1ncn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is MHDCYJVIIDCBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-8-1-3-9(4-2-8)15-7-13-10(14-15)5-6-12/h1-4,7H,5-6,12H2.
What are the key properties of 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 206.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 83820004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).