5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione

C11H13N5O3 — CID 103867554

IUPAC5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2cn(C)nn2)c(=O)n(C)c1=O
InChIInChI=1S/C11H13N5O3/c1-7(17)9-6-16(11(19)15(3)10(9)18)5-8-4-14(2)13-12-8/h4,6H,5H2,1-3H3
InChIKeyAUZSBHKJYMNJNF-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.07
Rot. Bonds3

About 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione

5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 103867554) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID103867554
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2cn(C)nn2)c(=O)n(C)c1=O
InChIInChI=1S/C11H13N5O3/c1-7(17)9-6-16(11(19)15(3)10(9)18)5-8-4-14(2)13-12-8/h4,6H,5H2,1-3H3
InChIKeyAUZSBHKJYMNJNF-UHFFFAOYSA-N
XLogP-1.07
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 80501607
5-acetyl-1-(2-hydroxyethyl)-3-methylpyrimidine-2,4-dione
CID 80643717
5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80694434
5-acetyl-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
CID 80648497
5-acetyl-3-methyl-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 80648810
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 80501346
1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 68808936
1-[3-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566901
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
5-acetyl-1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 71969989
3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
CID 107052060
1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166926176

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione (CID 103867554) is 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione is CC(=O)c1cn(Cc2cn(C)nn2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is AUZSBHKJYMNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7(17)9-6-16(11(19)15(3)10(9)18)5-8-4-14(2)13-12-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 263.26 g/mol, XLogP of -1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103867554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).