ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

C13H12N4O3 — CID 13191642

IUPACethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(C)c(=O)n2n1
InChIInChI=1S/C13H12N4O3/c1-3-20-12(18)10-14-11-8-6-4-5-7-9(8)16(2)13(19)17(11)15-10/h4-7H,3H2,1-2H3
InChIKeyMJURKYGKPCVXBN-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.76
Rot. Bonds2

About ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (PubChem CID 13191642) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
PubChem CID13191642
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Nameethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(C)c(=O)n2n1
InChIInChI=1S/C13H12N4O3/c1-3-20-12(18)10-14-11-8-6-4-5-7-9(8)16(2)13(19)17(11)15-10/h4-7H,3H2,1-2H3
InChIKeyMJURKYGKPCVXBN-UHFFFAOYSA-N
XLogP0.76
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The IUPAC name of ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (CID 13191642) is ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is CCOC(=O)c1nc2c3ccccc3n(C)c(=O)n2n1.
What is the InChIKey of ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The InChIKey is MJURKYGKPCVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-3-20-12(18)10-14-11-8-6-4-5-7-9(8)16(2)13(19)17(11)15-10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is sourced from PubChem (CID 13191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).