3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one

C10H13N3O — CID 166162684

IUPAC3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one
SMILESCc1nccn(C2=CNCCC2)c1=O
InChIInChI=1S/C10H13N3O/c1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h5-7,11H,2-4H2,1H3
InChIKeyYYMABCLLCWELEM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.73
Rot. Bonds1

About 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one

3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one (PubChem CID 166162684) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one
PubChem CID166162684
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one
SMILESCc1nccn(C2=CNCCC2)c1=O
InChIInChI=1S/C10H13N3O/c1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h5-7,11H,2-4H2,1H3
InChIKeyYYMABCLLCWELEM-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-3H-pyrrole-2-carboxamide
CID 58190011
3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one
CID 67439387
N-(3,4-dihydropyridin-2-ylmethyl)acetamide
CID 126633453
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
3,6-Dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
CID 143038659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one (CID 166162684) is 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one is Cc1nccn(C2=CNCCC2)c1=O.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one?
The InChIKey is YYMABCLLCWELEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-10(14)13(6-5-12-8)9-3-2-4-11-7-9/h5-7,11H,2-4H2,1H3.
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one?
3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydropyridin-5-yl)pyrazin-2-one is sourced from PubChem (CID 166162684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).