8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C14H12N4OS — CID 66505652

IUPAC8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(-c4cccs4)nn3c2C1
InChIInChI=1S/C14H12N4OS/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3
InChIKeyPABAUAXNMIRYFB-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.62
Rot. Bonds1

About 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505652) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505652
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(-c4cccs4)nn3c2C1
InChIInChI=1S/C14H12N4OS/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3
InChIKeyPABAUAXNMIRYFB-UHFFFAOYSA-N
XLogP2.62
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505652) is 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC1CC(=O)c2cnc3nc(-c4cccs4)nn3c2C1.
What is the InChIKey of 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is PABAUAXNMIRYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-5-10-9(11(19)6-8)7-15-14-16-13(17-18(10)14)12-3-2-4-20-12/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 284.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).