9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one

C12H14N4O — CID 86727447

IUPAC9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one
SMILESCC1C(=O)NN=C2CCc3ccc(N)cc3N21
InChIInChI=1S/C12H14N4O/c1-7-12(17)15-14-11-5-3-8-2-4-9(13)6-10(8)16(7)11/h2,4,6-7H,3,5,13H2,1H3,(H,15,17)
InChIKeyGVPRBVWHRIKAOV-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.85
Rot. Bonds

About 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one

9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one (PubChem CID 86727447) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one.

Molecular Properties

Compound Name9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one
PubChem CID86727447
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one
SMILESCC1C(=O)NN=C2CCc3ccc(N)cc3N21
InChIInChI=1S/C12H14N4O/c1-7-12(17)15-14-11-5-3-8-2-4-9(13)6-10(8)16(7)11/h2,4,6-7H,3,5,13H2,1H3,(H,15,17)
InChIKeyGVPRBVWHRIKAOV-UHFFFAOYSA-N
XLogP0.85
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one?
The IUPAC name of 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one (CID 86727447) is 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one.
What is the SMILES notation for 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one?
The canonical SMILES for 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one is CC1C(=O)NN=C2CCc3ccc(N)cc3N21.
What is the InChIKey of 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one?
The InChIKey is GVPRBVWHRIKAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-12(17)15-14-11-5-3-8-2-4-9(13)6-10(8)16(7)11/h2,4,6-7H,3,5,13H2,1H3,(H,15,17).
What are the key properties of 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one?
9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1-methyl-1,3,5,6-tetrahydro-[1,2,4]triazino[4,3-a]quinolin-2-one is sourced from PubChem (CID 86727447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).