2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C10H9F3N6O3 — CID 38016174

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1=O
InChIInChI=1S/C10H9F3N6O3/c1-18-6(21)2-3-19(9(18)22)4-5(20)14-8-15-7(16-17-8)10(11,12)13/h2-3H,4H2,1H3,(H2,14,15,16,17,20)
InChIKeySYEWQJHRQGLQHA-UHFFFAOYSA-N
MW318.22 g/mol
LogP-0.68
Rot. Bonds3

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 38016174) has the molecular formula C10H9F3N6O3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID38016174
Molecular FormulaC10H9F3N6O3
Molecular Weight318.22 g/mol
Exact Mass318.07
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1=O
InChIInChI=1S/C10H9F3N6O3/c1-18-6(21)2-3-19(9(18)22)4-5(20)14-8-15-7(16-17-8)10(11,12)13/h2-3H,4H2,1H3,(H2,14,15,16,17,20)
InChIKeySYEWQJHRQGLQHA-UHFFFAOYSA-N
XLogP-0.68
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 45807309
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 133924676
1,3-dimethyl-2-oxo-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazole-4-carboxamide
CID 154846283
N-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166321476
2-(2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884818
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884961
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511259
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511779
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511802
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64512740
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512838
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546219

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 38016174) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cn1c(=O)ccn(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is SYEWQJHRQGLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O3/c1-18-6(21)2-3-19(9(18)22)4-5(20)14-8-15-7(16-17-8)10(11,12)13/h2-3H,4H2,1H3,(H2,14,15,16,17,20).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 318.22 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 38016174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).