2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone

C13H21N5O — CID 54904222

IUPAC2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cnc(C)c(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C13H21N5O/c1-10-8-15-11(2)13(16-10)17(3)9-12(19)18-6-4-14-5-7-18/h8,14H,4-7,9H2,1-3H3
InChIKeyBVNPLKIKTWIXHZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 54904222) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID54904222
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cnc(C)c(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C13H21N5O/c1-10-8-15-11(2)13(16-10)17(3)9-12(19)18-6-4-14-5-7-18/h8,14H,4-7,9H2,1-3H3
InChIKeyBVNPLKIKTWIXHZ-UHFFFAOYSA-N
XLogP-0.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone (CID 54904222) is 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone is Cc1cnc(C)c(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is BVNPLKIKTWIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-8-15-11(2)13(16-10)17(3)9-12(19)18-6-4-14-5-7-18/h8,14H,4-7,9H2,1-3H3.
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 54904222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).