2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C18H15N5O2 — CID 16668983

IUPAC2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O
InChIInChI=1S/C18H15N5O2/c19-15(24)11-22-18(25)23-16(10-12-6-2-1-3-7-12)20-14-9-5-4-8-13(14)17(23)21-22/h1-9H,10-11H2,(H2,19,24)
InChIKeyBUQLAGLOQUJJMQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.12
Rot. Bonds4

About 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 16668983) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID16668983
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESNC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O
InChIInChI=1S/C18H15N5O2/c19-15(24)11-22-18(25)23-16(10-12-6-2-1-3-7-12)20-14-9-5-4-8-13(14)17(23)21-22/h1-9H,10-11H2,(H2,19,24)
InChIKeyBUQLAGLOQUJJMQ-UHFFFAOYSA-N
XLogP1.12
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 16668983) is 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is NC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O.
What is the InChIKey of 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is BUQLAGLOQUJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-15(24)11-22-18(25)23-16(10-12-6-2-1-3-7-12)20-14-9-5-4-8-13(14)17(23)21-22/h1-9H,10-11H2,(H2,19,24).
What are the key properties of 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 16668983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).