1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine

C16H23FN4 — CID 107431483

IUPAC1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnn(-c2cccc(F)c2)c1CC
InChIInChI=1S/C16H23FN4/c1-4-10-18-14(5-2)16-15(6-3)21(20-19-16)13-9-7-8-12(17)11-13/h7-9,11,14,18H,4-6,10H2,1-3H3
InChIKeyZXTKHNXRDYOWHY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.42
Rot. Bonds7

About 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine

1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine (PubChem CID 107431483) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
PubChem CID107431483
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnn(-c2cccc(F)c2)c1CC
InChIInChI=1S/C16H23FN4/c1-4-10-18-14(5-2)16-15(6-3)21(20-19-16)13-9-7-8-12(17)11-13/h7-9,11,14,18H,4-6,10H2,1-3H3
InChIKeyZXTKHNXRDYOWHY-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
methyl 5-ethyl-1-(3-fluorophenyl)triazole-4-carboxylate
CID 94068964
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
CID 107589592
1-(3-fluorophenyl)-5-propyltriazole-4-carbonitrile
CID 82197005
1-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431480
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine (CID 107431483) is 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnn(-c2cccc(F)c2)c1CC.
What is the InChIKey of 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is ZXTKHNXRDYOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-4-10-18-14(5-2)16-15(6-3)21(20-19-16)13-9-7-8-12(17)11-13/h7-9,11,14,18H,4-6,10H2,1-3H3.
What are the key properties of 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine?
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 107431483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).