3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

C13H14N4O — CID 135652972

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCCc3ccccc32)[nH]c1=O
InChIInChI=1S/C13H14N4O/c1-9-12(18)14-13(16-15-9)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16,18)
InChIKeyZRRPSNNRFGKXTE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds1

About 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135652972) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135652972
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N2CCCc3ccccc32)[nH]c1=O
InChIInChI=1S/C13H14N4O/c1-9-12(18)14-13(16-15-9)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16,18)
InChIKeyZRRPSNNRFGKXTE-UHFFFAOYSA-N
XLogP1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (CID 135652972) is 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N2CCCc3ccccc32)[nH]c1=O.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is ZRRPSNNRFGKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-12(18)14-13(16-15-9)17-8-4-6-10-5-2-3-7-11(10)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16,18).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 242.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135652972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).