5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine

C25H33FN4O2 — CID 11282946

IUPAC5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
SMILESCCCCC(c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1
InChIInChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3
InChIKeyZPMVACUFPBEMLZ-UHFFFAOYSA-N
MW440.56 g/mol
LogP5.79
Rot. Bonds11

About 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine

5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine (PubChem CID 11282946) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
PubChem CID11282946
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC Name5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
SMILESCCCCC(c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1
InChIInChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3
InChIKeyZPMVACUFPBEMLZ-UHFFFAOYSA-N
XLogP5.79
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine (CID 11282946) is 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine is CCCCC(c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine?
The InChIKey is ZPMVACUFPBEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine?
5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine has a molecular weight of 440.56 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 11282946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).