2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

C13H13N5O2S — CID 1434400

IUPAC2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
SMILESCCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12
InChIInChI=1S/C13H13N5O2S/c1-2-17-11(20)8-5-3-4-6-9(8)18-12(17)15-16-13(18)21-7-10(14)19/h3-6H,2,7H2,1H3,(H2,14,19)
InChIKeyJMBMVJRPWSDOBI-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.64
Rot. Bonds4

About 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (PubChem CID 1434400) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
PubChem CID1434400
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
SMILESCCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12
InChIInChI=1S/C13H13N5O2S/c1-2-17-11(20)8-5-3-4-6-9(8)18-12(17)15-16-13(18)21-7-10(14)19/h3-6H,2,7H2,1H3,(H2,14,19)
InChIKeyJMBMVJRPWSDOBI-UHFFFAOYSA-N
XLogP0.64
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2429151
2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493330
4-Amino-1-propylsulfanyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 1993191
4-Amino-1-((Z)-3-chloro-but-2-enylsulfanyl)-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 719126
4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 135450456
4-Cyclopentyl-1-[2-(3-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 648940
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-4-ethyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
1-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-4-cyclopentyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 653168
4-amino-1-(benzylthio)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 969752
4-Amino-1-(4-trifluoromethyl-benzylsulfanyl)-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 1446120
7-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2110751
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2413312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (CID 1434400) is 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is CCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12.
What is the InChIKey of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The InChIKey is JMBMVJRPWSDOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-2-17-11(20)8-5-3-4-6-9(8)18-12(17)15-16-13(18)21-7-10(14)19/h3-6H,2,7H2,1H3,(H2,14,19).
What are the key properties of 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide has a molecular weight of 303.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 1434400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).