5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine

C16H20FN5 — CID 42514045

IUPAC5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20FN5/c17-14-6-4-13(5-7-14)15-12-19-21-16(20-15)18-8-11-22-9-2-1-3-10-22/h4-7,12H,1-3,8-11H2,(H,18,20,21)
InChIKeyNGLVZUCHUVOVEP-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.58
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 42514045) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine
PubChem CID42514045
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20FN5/c17-14-6-4-13(5-7-14)15-12-19-21-16(20-15)18-8-11-22-9-2-1-3-10-22/h4-7,12H,1-3,8-11H2,(H,18,20,21)
InChIKeyNGLVZUCHUVOVEP-UHFFFAOYSA-N
XLogP2.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine (CID 42514045) is 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine is Fc1ccc(-c2cnnc(NCCN3CCCCC3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is NGLVZUCHUVOVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c17-14-6-4-13(5-7-14)15-12-19-21-16(20-15)18-8-11-22-9-2-1-3-10-22/h4-7,12H,1-3,8-11H2,(H,18,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 301.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42514045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).