4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one

C12H19N5O — CID 103056548

IUPAC4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
SMILESCCNc1cnc(CN2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C12H19N5O/c1-3-13-11-7-14-10(6-15-11)8-17-5-4-16(2)12(18)9-17/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyYFVSFQJPPOTHGN-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.18
Rot. Bonds4

About 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one

4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 103056548) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
PubChem CID103056548
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
SMILESCCNc1cnc(CN2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C12H19N5O/c1-3-13-11-7-14-10(6-15-11)8-17-5-4-16(2)12(18)9-17/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyYFVSFQJPPOTHGN-UHFFFAOYSA-N
XLogP0.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one (CID 103056548) is 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one is CCNc1cnc(CN2CCN(C)C(=O)C2)cn1.
What is the InChIKey of 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is YFVSFQJPPOTHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-13-11-7-14-10(6-15-11)8-17-5-4-16(2)12(18)9-17/h6-7H,3-5,8-9H2,1-2H3,(H,13,15).
What are the key properties of 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one?
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 103056548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).