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

C9H12N4O2 — CID 10655964

IUPAC1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCOc1cccc(N2CCNC(=O)N2)n1
InChIInChI=1S/C9H12N4O2/c1-15-8-4-2-3-7(11-8)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14)
InChIKeySISRPFZMUSZKMJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.12
Rot. Bonds2

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

1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one (PubChem CID 10655964) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one
PubChem CID10655964
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCOc1cccc(N2CCNC(=O)N2)n1
InChIInChI=1S/C9H12N4O2/c1-15-8-4-2-3-7(11-8)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14)
InChIKeySISRPFZMUSZKMJ-UHFFFAOYSA-N
XLogP0.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.12
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)-1,2,4-triazinan-3-one?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one (CID 10655964) is 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one is COc1cccc(N2CCNC(=O)N2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one?
The InChIKey is SISRPFZMUSZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-8-4-2-3-7(11-8)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14).
What are the key properties of 1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one?
1-(6-methoxy-2-pyridinyl)-1,2,4-triazinan-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.12, 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)-1,2,4-triazinan-3-one is sourced from PubChem (CID 10655964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).