(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide

C14H23F3N6O — CID 163449928

IUPAC(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(C2=NCC(C(F)(F)F)N=N2)CC1
InChIInChI=1S/C14H23F3N6O/c1-9(2)19-12(24)10(3)22-4-6-23(7-5-22)13-18-8-11(20-21-13)14(15,16)17/h9-11H,4-8H2,1-3H3,(H,19,24)/t10-,11?/m0/s1
InChIKeyBFSVSTPDEZJFNM-VUWPPUDQSA-N
MW348.37 g/mol
LogP1.27
Rot. Bonds3

About (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide

(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide (PubChem CID 163449928) has the molecular formula C14H23F3N6O and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide
PubChem CID163449928
Molecular FormulaC14H23F3N6O
Molecular Weight348.37 g/mol
Exact Mass348.19
IUPAC Name(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@H](C)N1CCN(C2=NCC(C(F)(F)F)N=N2)CC1
InChIInChI=1S/C14H23F3N6O/c1-9(2)19-12(24)10(3)22-4-6-23(7-5-22)13-18-8-11(20-21-13)14(15,16)17/h9-11H,4-8H2,1-3H3,(H,19,24)/t10-,11?/m0/s1
InChIKeyBFSVSTPDEZJFNM-VUWPPUDQSA-N
XLogP1.27
TPSA72.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide (CID 163449928) is (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide is CC(C)NC(=O)[C@H](C)N1CCN(C2=NCC(C(F)(F)F)N=N2)CC1.
What is the InChIKey of (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide?
The InChIKey is BFSVSTPDEZJFNM-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H23F3N6O/c1-9(2)19-12(24)10(3)22-4-6-23(7-5-22)13-18-8-11(20-21-13)14(15,16)17/h9-11H,4-8H2,1-3H3,(H,19,24)/t10-,11?/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide?
(2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide has a molecular weight of 348.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-2-[4-[6-(trifluoromethyl)-5,6-dihydro-1,2,4-triazin-3-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 163449928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).