N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide

C9H11F3N4O3 — CID 122252814

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H11F3N4O3/c1-18-7-14-5(15-8(16-7)19-2)4-13-6(17)3-9(10,11)12/h3-4H2,1-2H3,(H,13,17)
InChIKeyUIPLPUREJLESDF-UHFFFAOYSA-N
MW280.21 g/mol
LogP0.46
Rot. Bonds5

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 122252814) has the molecular formula C9H11F3N4O3 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID122252814
Molecular FormulaC9H11F3N4O3
Molecular Weight280.21 g/mol
Exact Mass280.08
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(OC)n1
InChIInChI=1S/C9H11F3N4O3/c1-18-7-14-5(15-8(16-7)19-2)4-13-6(17)3-9(10,11)12/h3-4H2,1-2H3,(H,13,17)
InChIKeyUIPLPUREJLESDF-UHFFFAOYSA-N
XLogP0.46
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137676
3,3,3-trifluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137801
N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121137996
N-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121138114
N-((4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122253025
3,3,3-trifluoro-N-((4-methoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122253603
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254089
N-((4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254620
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-dicarboxamide
CID 140377572
4,6-dimethoxy-N-propyl-1,3,5-triazine-2-carboxamide
CID 85991076
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)pivalamide
CID 121137374
N-((4,6-dimethoxy-1,3,5-triazin-2-yl)methyl)-3-methylbutanamide
CID 121137375

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide (CID 122252814) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide is COc1nc(CNC(=O)CC(F)(F)F)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is UIPLPUREJLESDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3/c1-18-7-14-5(15-8(16-7)19-2)4-13-6(17)3-9(10,11)12/h3-4H2,1-2H3,(H,13,17).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 280.21 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122252814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).