1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

C15H20F2N4 — CID 107431562

IUPAC1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2c(F)cccc2F)c1CC
InChIInChI=1S/C15H20F2N4/c1-4-12(18-6-3)14-13(5-2)21(20-19-14)15-10(16)8-7-9-11(15)17/h7-9,12,18H,4-6H2,1-3H3
InChIKeyGAGVLVMXQZGYBJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds6

About 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 107431562) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
PubChem CID107431562
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2c(F)cccc2F)c1CC
InChIInChI=1S/C15H20F2N4/c1-4-12(18-6-3)14-13(5-2)21(20-19-14)15-10(16)8-7-9-11(15)17/h7-9,12,18H,4-6H2,1-3H3
InChIKeyGAGVLVMXQZGYBJ-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (CID 107431562) is 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnn(-c2c(F)cccc2F)c1CC.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is GAGVLVMXQZGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-4-12(18-6-3)14-13(5-2)21(20-19-14)15-10(16)8-7-9-11(15)17/h7-9,12,18H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107431562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).