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

C17H19F3N4O2 — CID 135872323

IUPACN-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C17H19F3N4O2/c1-10(2)24(3)14(25)9-8-13-16(26)21-15(23-22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23,26)
InChIKeyYHRQDEKYVNJHMO-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.65
Rot. Bonds5

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

N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 135872323) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
PubChem CID135872323
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C17H19F3N4O2/c1-10(2)24(3)14(25)9-8-13-16(26)21-15(23-22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23,26)
InChIKeyYHRQDEKYVNJHMO-UHFFFAOYSA-N
XLogP2.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide (CID 135872323) is N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)CCc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is YHRQDEKYVNJHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-10(2)24(3)14(25)9-8-13-16(26)21-15(23-22-13)11-4-6-12(7-5-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23,26).
What are the key properties of N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide?
N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 368.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-oxo-3-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 135872323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).