3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine

C15H19FN6 — CID 112946446

IUPAC3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCN1CCN(c2nncc(Nc3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H19FN6/c1-2-21-6-8-22(9-7-21)15-19-14(11-17-20-15)18-13-5-3-4-12(16)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,18,19,20)
InChIKeyRLRPREAACUQKSM-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.90
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine

3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112946446) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112946446
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCN1CCN(c2nncc(Nc3cccc(F)c3)n2)CC1
InChIInChI=1S/C15H19FN6/c1-2-21-6-8-22(9-7-21)15-19-14(11-17-20-15)18-13-5-3-4-12(16)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,18,19,20)
InChIKeyRLRPREAACUQKSM-UHFFFAOYSA-N
XLogP1.90
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine (CID 112946446) is 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine is CCN1CCN(c2nncc(Nc3cccc(F)c3)n2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is RLRPREAACUQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c1-2-21-6-8-22(9-7-21)15-19-14(11-17-20-15)18-13-5-3-4-12(16)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,18,19,20).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine?
3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 302.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).