1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one

C13H16N4O — CID 55155833

IUPAC1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCc2cccnc2)c1=O
InChIInChI=1S/C13H16N4O/c1-2-7-17-8-6-15-12(13(17)18)16-10-11-4-3-5-14-9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16)
InChIKeyKOZLNRRLHOTIPT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.66
Rot. Bonds5

About 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one

1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one (PubChem CID 55155833) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
PubChem CID55155833
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCc2cccnc2)c1=O
InChIInChI=1S/C13H16N4O/c1-2-7-17-8-6-15-12(13(17)18)16-10-11-4-3-5-14-9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16)
InChIKeyKOZLNRRLHOTIPT-UHFFFAOYSA-N
XLogP1.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one (CID 55155833) is 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one is CCCn1ccnc(NCc2cccnc2)c1=O.
What is the InChIKey of 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one?
The InChIKey is KOZLNRRLHOTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-7-17-8-6-15-12(13(17)18)16-10-11-4-3-5-14-9-11/h3-6,8-9H,2,7,10H2,1H3,(H,15,16).
What are the key properties of 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one?
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 55155833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).