ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate

C12H10N4O3 — CID 177234656

IUPACethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate
SMILESCCOC(=O)c1n[nH]n2c(=O)nc3ccccc3c12
InChIInChI=1S/C12H10N4O3/c1-2-19-11(17)9-10-7-5-3-4-6-8(7)13-12(18)16(10)15-14-9/h3-6,15H,2H2,1H3
InChIKeyPSOWENKPGXJYEH-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.75
Rot. Bonds2

About ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate

ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate (PubChem CID 177234656) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate
PubChem CID177234656
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Nameethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate
SMILESCCOC(=O)c1n[nH]n2c(=O)nc3ccccc3c12
InChIInChI=1S/C12H10N4O3/c1-2-19-11(17)9-10-7-5-3-4-6-8(7)13-12(18)16(10)15-14-9/h3-6,15H,2H2,1H3
InChIKeyPSOWENKPGXJYEH-UHFFFAOYSA-N
XLogP0.75
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate?
The IUPAC name of ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate (CID 177234656) is ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate.
What is the SMILES notation for ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate?
The canonical SMILES for ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate is CCOC(=O)c1n[nH]n2c(=O)nc3ccccc3c12.
What is the InChIKey of ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate?
The InChIKey is PSOWENKPGXJYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-2-19-11(17)9-10-7-5-3-4-6-8(7)13-12(18)16(10)15-14-9/h3-6,15H,2H2,1H3.
What are the key properties of ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate?
ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate has a molecular weight of 258.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate is sourced from PubChem (CID 177234656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).