benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

C17H12N4O3 — CID 135750132

IUPACbenzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2c3ccccc3[nH]c(=O)n2n1
InChIInChI=1S/C17H12N4O3/c22-16(24-10-11-6-2-1-3-7-11)14-19-15-12-8-4-5-9-13(12)18-17(23)21(15)20-14/h1-9H,10H2,(H,18,23)
InChIKeyWFHNGCVZGRNLCN-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.93
Rot. Bonds3

About benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (PubChem CID 135750132) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
PubChem CID135750132
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Namebenzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2c3ccccc3[nH]c(=O)n2n1
InChIInChI=1S/C17H12N4O3/c22-16(24-10-11-6-2-1-3-7-11)14-19-15-12-8-4-5-9-13(12)18-17(23)21(15)20-14/h1-9H,10H2,(H,18,23)
InChIKeyWFHNGCVZGRNLCN-UHFFFAOYSA-N
XLogP1.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11674151
ethyl 5-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazoline-5-carboxylate
CID 177656093
ethyl 10-fluoro-5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 136041278
ethyl 5-oxo-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 136079794
Ethyl 6-methyl-1,2,4-triazolo[1,5-c]quinazolin-5-one-2-carboxylate
CID 13191642
Ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 13191646
Benzyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 13191662
Ethyl 1,2,4-triazolo[1,5-c]quinazolin-5-one-2-carboxylate
CID 135410251
1,2,4-Triazolo[1,5-c]quinazolin-5-one-2-carboxylic acid
CID 136018509
9-methoxy-5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
CID 136082117
ethyl 9-methyl-5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 136090582
5-oxo-9-propoxy-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid
CID 136094431

Frequently Asked Questions

What is the IUPAC name of benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The IUPAC name of benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (CID 135750132) is benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.
What is the SMILES notation for benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The canonical SMILES for benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is O=C(OCc1ccccc1)c1nc2c3ccccc3[nH]c(=O)n2n1.
What is the InChIKey of benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The InChIKey is WFHNGCVZGRNLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16(24-10-11-6-2-1-3-7-11)14-19-15-12-8-4-5-9-13(12)18-17(23)21(15)20-14/h1-9H,10H2,(H,18,23).
What are the key properties of benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-oxo-6H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is sourced from PubChem (CID 135750132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).