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

C8H14N4O2 — CID 14772861

IUPACethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C8H14N4O2/c1-5-14-7(13)6-9-10-8(11(2)3)12(6)4/h5H2,1-4H3
InChIKeyDYVZODBYBUJLJT-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.06
Rot. Bonds3

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

ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate (PubChem CID 14772861) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate
PubChem CID14772861
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C8H14N4O2/c1-5-14-7(13)6-9-10-8(11(2)3)12(6)4/h5H2,1-4H3
InChIKeyDYVZODBYBUJLJT-UHFFFAOYSA-N
XLogP0.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate (CID 14772861) is ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nnc(N(C)C)n1C.
What is the InChIKey of ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate?
The InChIKey is DYVZODBYBUJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5-14-7(13)6-9-10-8(11(2)3)12(6)4/h5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate?
ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate has a molecular weight of 198.23 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 14772861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).