1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one

C12H17N5O — CID 113349594

IUPAC1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one
SMILESCCc1nn(C)cc1Nc1nccn(CC)c1=O
InChIInChI=1S/C12H17N5O/c1-4-9-10(8-16(3)15-9)14-11-12(18)17(5-2)7-6-13-11/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyJMKUVOJXIAEEFD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds4

About 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one

1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one (PubChem CID 113349594) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one
PubChem CID113349594
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one
SMILESCCc1nn(C)cc1Nc1nccn(CC)c1=O
InChIInChI=1S/C12H17N5O/c1-4-9-10(8-16(3)15-9)14-11-12(18)17(5-2)7-6-13-11/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyJMKUVOJXIAEEFD-UHFFFAOYSA-N
XLogP1.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
3-(4-aminoanilino)-1-ethylpyrazin-2-one
CID 62939816
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
3-ethyl-1-methyl-N-(1-phenylimidazol-2-yl)pyrazol-4-amine
CID 107465410
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
3-(4-tert-butylanilino)-1-ethylpyrazin-2-one
CID 133446905
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
1-ethyl-3-(3-ethyl-4-methylanilino)pyrazin-2-one
CID 133440153
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one (CID 113349594) is 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one is CCc1nn(C)cc1Nc1nccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one?
The InChIKey is JMKUVOJXIAEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-9-10(8-16(3)15-9)14-11-12(18)17(5-2)7-6-13-11/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one?
1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrazin-2-one is sourced from PubChem (CID 113349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).