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

C10H11FN4 — CID 117167242

IUPAC1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1-c1cccc(F)c1
InChIInChI=1S/C10H11FN4/c1-7(12)10-6-13-14-15(10)9-4-2-3-8(11)5-9/h2-7H,12H2,1H3
InChIKeyQDNMZSKLINBZQO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.43
Rot. Bonds2

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

1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine (PubChem CID 117167242) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
PubChem CID117167242
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1-c1cccc(F)c1
InChIInChI=1S/C10H11FN4/c1-7(12)10-6-13-14-15(10)9-4-2-3-8(11)5-9/h2-7H,12H2,1H3
InChIKeyQDNMZSKLINBZQO-UHFFFAOYSA-N
XLogP1.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
N-[[3-(3-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451095
5-(difluoromethyl)-1-[3-(difluoromethyl)phenyl]triazole
CID 174935366
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
1-[3-(3-fluorophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167225
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine (CID 117167242) is 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine is CC(N)c1cnnn1-c1cccc(F)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine?
The InChIKey is QDNMZSKLINBZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7(12)10-6-13-14-15(10)9-4-2-3-8(11)5-9/h2-7H,12H2,1H3.
What are the key properties of 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine?
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine has a molecular weight of 206.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 117167242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).