ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate

C10H11N5O2 — CID 63381239

IUPACethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C10H11N5O2/c1-3-17-10(16)8-13-9(15(2)14-8)7-6-11-4-5-12-7/h4-6H,3H2,1-2H3
InChIKeyBPBSZLVUYBOVFQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.45
Rot. Bonds3

About ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate

ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate (PubChem CID 63381239) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate
PubChem CID63381239
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Nameethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nc(-c2cnccn2)n(C)n1
InChIInChI=1S/C10H11N5O2/c1-3-17-10(16)8-13-9(15(2)14-8)7-6-11-4-5-12-7/h4-6H,3H2,1-2H3
InChIKeyBPBSZLVUYBOVFQ-UHFFFAOYSA-N
XLogP0.45
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate (CID 63381239) is ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nc(-c2cnccn2)n(C)n1.
What is the InChIKey of ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate?
The InChIKey is BPBSZLVUYBOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-3-17-10(16)8-13-9(15(2)14-8)7-6-11-4-5-12-7/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate?
ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 63381239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).