8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one

C12H10N4O — CID 14450297

IUPAC8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one
SMILESCc1cc(-n2cnnc2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C12H10N4O/c1-8-4-10(16-6-13-14-7-16)5-9-2-3-11(17)15-12(8)9/h2-7H,1H3,(H,15,17)
InChIKeyKJHQKMKVNPPNHW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.42
Rot. Bonds1

About 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one

8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one (PubChem CID 14450297) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one
PubChem CID14450297
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one
SMILESCc1cc(-n2cnnc2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C12H10N4O/c1-8-4-10(16-6-13-14-7-16)5-9-2-3-11(17)15-12(8)9/h2-7H,1H3,(H,15,17)
InChIKeyKJHQKMKVNPPNHW-UHFFFAOYSA-N
XLogP1.42
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one (CID 14450297) is 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one is Cc1cc(-n2cnnc2)cc2ccc(=O)[nH]c12.
What is the InChIKey of 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one?
The InChIKey is KJHQKMKVNPPNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-4-10(16-6-13-14-7-16)5-9-2-3-11(17)15-12(8)9/h2-7H,1H3,(H,15,17).
What are the key properties of 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one?
8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(1,2,4-triazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 14450297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).