1-pyridin-2-yl-1,2,4-triazinan-3-one

C8H10N4O — CID 10702459

IUPAC1-pyridin-2-yl-1,2,4-triazinan-3-one
SMILESO=C1NCCN(c2ccccn2)N1
InChIInChI=1S/C8H10N4O/c13-8-10-5-6-12(11-8)7-3-1-2-4-9-7/h1-4H,5-6H2,(H2,10,11,13)
InChIKeyQDJLAXWZNJYZPD-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.12
Rot. Bonds1

About 1-pyridin-2-yl-1,2,4-triazinan-3-one

1-pyridin-2-yl-1,2,4-triazinan-3-one (PubChem CID 10702459) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-pyridin-2-yl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-pyridin-2-yl-1,2,4-triazinan-3-one
PubChem CID10702459
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1-pyridin-2-yl-1,2,4-triazinan-3-one
SMILESO=C1NCCN(c2ccccn2)N1
InChIInChI=1S/C8H10N4O/c13-8-10-5-6-12(11-8)7-3-1-2-4-9-7/h1-4H,5-6H2,(H2,10,11,13)
InChIKeyQDJLAXWZNJYZPD-UHFFFAOYSA-N
XLogP0.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(Piperazin-1-yl)pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1,2,4-triazinan-3-one?
The IUPAC name of 1-pyridin-2-yl-1,2,4-triazinan-3-one (CID 10702459) is 1-pyridin-2-yl-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-pyridin-2-yl-1,2,4-triazinan-3-one?
The canonical SMILES for 1-pyridin-2-yl-1,2,4-triazinan-3-one is O=C1NCCN(c2ccccn2)N1.
What is the InChIKey of 1-pyridin-2-yl-1,2,4-triazinan-3-one?
The InChIKey is QDJLAXWZNJYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-8-10-5-6-12(11-8)7-3-1-2-4-9-7/h1-4H,5-6H2,(H2,10,11,13).
What are the key properties of 1-pyridin-2-yl-1,2,4-triazinan-3-one?
1-pyridin-2-yl-1,2,4-triazinan-3-one has a molecular weight of 178.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10702459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).