ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate

C11H15N5O2 — CID 55183640

IUPACethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cnn(C)c2C)n(C)n1
InChIInChI=1S/C11H15N5O2/c1-5-18-11(17)9-13-10(16(4)14-9)8-6-12-15(3)7(8)2/h6H,5H2,1-4H3
InChIKeyFOIXOZNBKRXFEH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.70
Rot. Bonds3

About ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate

ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate (PubChem CID 55183640) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate
PubChem CID55183640
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Nameethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cnn(C)c2C)n(C)n1
InChIInChI=1S/C11H15N5O2/c1-5-18-11(17)9-13-10(16(4)14-9)8-6-12-15(3)7(8)2/h6H,5H2,1-4H3
InChIKeyFOIXOZNBKRXFEH-UHFFFAOYSA-N
XLogP0.70
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate (CID 55183640) is ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(-c2cnn(C)c2C)n(C)n1.
What is the InChIKey of ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate?
The InChIKey is FOIXOZNBKRXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5-18-11(17)9-13-10(16(4)14-9)8-6-12-15(3)7(8)2/h6H,5H2,1-4H3.
What are the key properties of ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate?
ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,5-dimethylpyrazol-4-yl)-1-methyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 55183640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).