1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one

C10H14N4O2 — CID 10513218

IUPAC1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
SMILESCOc1cccc(N2CC(C)NC(=O)N2)n1
InChIInChI=1S/C10H14N4O2/c1-7-6-14(13-10(15)11-7)8-4-3-5-9(12-8)16-2/h3-5,7H,6H2,1-2H3,(H2,11,13,15)
InChIKeyNKNBJFAZVZMEBJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.51
Rot. Bonds2

About 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one

1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one (PubChem CID 10513218) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
PubChem CID10513218
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one
SMILESCOc1cccc(N2CC(C)NC(=O)N2)n1
InChIInChI=1S/C10H14N4O2/c1-7-6-14(13-10(15)11-7)8-4-3-5-9(12-8)16-2/h3-5,7H,6H2,1-2H3,(H2,11,13,15)
InChIKeyNKNBJFAZVZMEBJ-UHFFFAOYSA-N
XLogP0.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one (CID 10513218) is 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one is COc1cccc(N2CC(C)NC(=O)N2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
The InChIKey is NKNBJFAZVZMEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-6-14(13-10(15)11-7)8-4-3-5-9(12-8)16-2/h3-5,7H,6H2,1-2H3,(H2,11,13,15).
What are the key properties of 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one?
1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one has a molecular weight of 222.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).