1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one

C12H14N4O — CID 62940009

IUPAC1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCc2ccncc2)c1=O
InChIInChI=1S/C12H14N4O/c1-2-16-8-7-14-11(12(16)17)15-9-10-3-5-13-6-4-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyBLFCXPSRCAMMNR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds4

About 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one

1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one (PubChem CID 62940009) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
PubChem CID62940009
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCc2ccncc2)c1=O
InChIInChI=1S/C12H14N4O/c1-2-16-8-7-14-11(12(16)17)15-9-10-3-5-13-6-4-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyBLFCXPSRCAMMNR-UHFFFAOYSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
1-ethyl-3-[(6-methoxy-3-pyridinyl)methylamino]pyrazin-2-one
CID 55140337
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one (CID 62940009) is 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one is CCn1ccnc(NCc2ccncc2)c1=O.
What is the InChIKey of 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one?
The InChIKey is BLFCXPSRCAMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-8-7-14-11(12(16)17)15-9-10-3-5-13-6-4-10/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one?
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 62940009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).