1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione

C11H15N5O2 — CID 66323855

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnc(C)n2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2/c1-4-8-5-16(11(18)12-10(8)17)6-9-14-13-7(2)15(9)3/h5H,4,6H2,1-3H3,(H,12,17,18)
InChIKeyXEFAMHQZKSWKNL-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.42
Rot. Bonds3

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66323855) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66323855
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nnc(C)n2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2/c1-4-8-5-16(11(18)12-10(8)17)6-9-14-13-7(2)15(9)3/h5H,4,6H2,1-3H3,(H,12,17,18)
InChIKeyXEFAMHQZKSWKNL-UHFFFAOYSA-N
XLogP-0.42
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66330134
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 80654354
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 66328136
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328744
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
CID 66328535
4-(5-ethyl-2,4-dioxopyrimidin-1-yl)butanenitrile
CID 66330702

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione (CID 66323855) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2nnc(C)n2C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is XEFAMHQZKSWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-4-8-5-16(11(18)12-10(8)17)6-9-14-13-7(2)15(9)3/h5H,4,6H2,1-3H3,(H,12,17,18).
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66323855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).