1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine

C15H17F4N5 — CID 76684206

IUPAC1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
InChIInChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2
InChIKeyYIWQRBWRMXHWFG-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.69
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine

1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine (PubChem CID 76684206) has the molecular formula C15H17F4N5 and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
PubChem CID76684206
Molecular FormulaC15H17F4N5
Molecular Weight343.33 g/mol
Exact Mass343.14
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
InChIInChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2
InChIKeyYIWQRBWRMXHWFG-UHFFFAOYSA-N
XLogP2.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine (CID 76684206) is 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine is Fc1ccc(-n2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine?
The InChIKey is YIWQRBWRMXHWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine?
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine has a molecular weight of 343.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine is sourced from PubChem (CID 76684206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).