N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide

C16H17F3N4O2 — CID 135859577

IUPACN-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
SMILESCCN(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C16H17F3N4O2/c1-3-23(2)13(24)9-8-12-15(25)20-14(22-21-12)10-4-6-11(7-5-10)16(17,18)19/h4-7H,3,8-9H2,1-2H3,(H,20,22,25)
InChIKeyIXEVGARTSVTPSB-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide

N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide (PubChem CID 135859577) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
PubChem CID135859577
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
SMILESCCN(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C16H17F3N4O2/c1-3-23(2)13(24)9-8-12-15(25)20-14(22-21-12)10-4-6-11(7-5-10)16(17,18)19/h4-7H,3,8-9H2,1-2H3,(H,20,22,25)
InChIKeyIXEVGARTSVTPSB-UHFFFAOYSA-N
XLogP2.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The IUPAC name of N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide (CID 135859577) is N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The canonical SMILES for N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide is CCN(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
The InChIKey is IXEVGARTSVTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-3-23(2)13(24)9-8-12-15(25)20-14(22-21-12)10-4-6-11(7-5-10)16(17,18)19/h4-7H,3,8-9H2,1-2H3,(H,20,22,25).
What are the key properties of N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide?
N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide has a molecular weight of 354.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide is sourced from PubChem (CID 135859577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).