5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C14H10N4OS — CID 57345537

IUPAC5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3cccs3)ccc12
InChIInChI=1S/C14H10N4OS/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19)
InChIKeyIIWDUFIWVWNUQB-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.49
Rot. Bonds1

About 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 57345537) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID57345537
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESNc1cc2n[nH]c(=O)n2c2cc(-c3cccs3)ccc12
InChIInChI=1S/C14H10N4OS/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19)
InChIKeyIIWDUFIWVWNUQB-UHFFFAOYSA-N
XLogP2.49
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452237
4-(2,5-dimethylphenyl)-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
CID 843687
5-methyl-8-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 10266513
5-methyl-8-(thiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865545
5-(Hydroxymethyl)-8-thien-3-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 58902643
5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 58902644
5-(hydroxymethyl)-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452226
5-amino-8-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454764
5-amino-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455856
3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide
CID 69456743
4-(2,5-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 899576
5-methyl-8-(4-(methylsulfinyl)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865353

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 57345537) is 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Nc1cc2n[nH]c(=O)n2c2cc(-c3cccs3)ccc12.
What is the InChIKey of 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is IIWDUFIWVWNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19).
What are the key properties of 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 282.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 57345537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).