1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione

C14H19N5O2 — CID 72841936

IUPAC1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ncnn2C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-10-7-18(14(21)17-13(10)20)8-12-15-9-16-19(12)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,20,21)
InChIKeyWDCYCDFTXBBYGE-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.99
Rot. Bonds3

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

1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 72841936) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID72841936
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ncnn2C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2/c1-10-7-18(14(21)17-13(10)20)8-12-15-9-16-19(12)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,20,21)
InChIKeyWDCYCDFTXBBYGE-UHFFFAOYSA-N
XLogP0.99
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione (CID 72841936) is 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2ncnn2C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WDCYCDFTXBBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-7-18(14(21)17-13(10)20)8-12-15-9-16-19(12)11-5-3-2-4-6-11/h7,9,11H,2-6,8H2,1H3,(H,17,20,21).
What are the key properties of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72841936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).