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

C13H13N5O — CID 10824904

IUPAC1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESO=C1NCCN(c2cccc(-c3ccccn3)n2)N1
InChIInChI=1S/C13H13N5O/c19-13-15-8-9-18(17-13)12-6-3-5-11(16-12)10-4-1-2-7-14-10/h1-7H,8-9H2,(H2,15,17,19)
InChIKeyRRZYTFPLAAXMKF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.18
Rot. Bonds2

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

1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one (PubChem CID 10824904) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one
PubChem CID10824904
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESO=C1NCCN(c2cccc(-c3ccccn3)n2)N1
InChIInChI=1S/C13H13N5O/c19-13-15-8-9-18(17-13)12-6-3-5-11(16-12)10-4-1-2-7-14-10/h1-7H,8-9H2,(H2,15,17,19)
InChIKeyRRZYTFPLAAXMKF-UHFFFAOYSA-N
XLogP1.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one?
The IUPAC name of 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one (CID 10824904) is 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one?
The canonical SMILES for 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one is O=C1NCCN(c2cccc(-c3ccccn3)n2)N1.
What is the InChIKey of 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one?
The InChIKey is RRZYTFPLAAXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-13-15-8-9-18(17-13)12-6-3-5-11(16-12)10-4-1-2-7-14-10/h1-7H,8-9H2,(H2,15,17,19).
What are the key properties of 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one?
1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-yl-2-pyridinyl)-1,2,4-triazinan-3-one is sourced from PubChem (CID 10824904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).