1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

C15H20ClFN4 — CID 107530955

IUPAC1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2cc(F)ccc2Cl)c1CC
InChIInChI=1S/C15H20ClFN4/c1-4-12(18-6-3)15-13(5-2)21(20-19-15)14-9-10(17)7-8-11(14)16/h7-9,12,18H,4-6H2,1-3H3
InChIKeyNGSAHYAAVTYZBK-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.68
Rot. Bonds6

About 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 107530955) has the molecular formula C15H20ClFN4 and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
PubChem CID107530955
Molecular FormulaC15H20ClFN4
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2cc(F)ccc2Cl)c1CC
InChIInChI=1S/C15H20ClFN4/c1-4-12(18-6-3)15-13(5-2)21(20-19-15)14-9-10(17)7-8-11(14)16/h7-9,12,18H,4-6H2,1-3H3
InChIKeyNGSAHYAAVTYZBK-UHFFFAOYSA-N
XLogP3.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
CID 107431534
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-amine
CID 107531709
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[1-(3-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431788
1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107622879
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[5-ethyl-1-(2,3,5-trifluorophenyl)triazol-4-yl]propan-1-amine
CID 107431682

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (CID 107530955) is 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnn(-c2cc(F)ccc2Cl)c1CC.
What is the InChIKey of 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is NGSAHYAAVTYZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN4/c1-4-12(18-6-3)15-13(5-2)21(20-19-15)14-9-10(17)7-8-11(14)16/h7-9,12,18H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 310.80 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107530955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).