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

C13H11F3N4O3 — CID 21205758

IUPAC3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-2-1-3-8(6-7)17-10(21)5-4-9-11(22)18-12(23)20-19-9/h1-3,6H,4-5H2,(H,17,21)(H2,18,20,22,23)
InChIKeyMYXGTUDSKPZUDU-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.05
Rot. Bonds4

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

3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 21205758) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID21205758
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)7-2-1-3-8(6-7)17-10(21)5-4-9-11(22)18-12(23)20-19-9/h1-3,6H,4-5H2,(H,17,21)(H2,18,20,22,23)
InChIKeyMYXGTUDSKPZUDU-UHFFFAOYSA-N
XLogP1.05
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3004190
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-(4-nitrophenyl)propanamide
CID 21238738
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
CID 89006052
CID 89006052
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 21205758) is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MYXGTUDSKPZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)7-2-1-3-8(6-7)17-10(21)5-4-9-11(22)18-12(23)20-19-9/h1-3,6H,4-5H2,(H,17,21)(H2,18,20,22,23).
What are the key properties of 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 21205758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).