1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

C13H21N5O — CID 80767680

IUPAC1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCCCNc1cncc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-4-15-12-9-14-10-13(16-12)18-7-5-17(6-8-18)11(2)19/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyAXEKVEQRRRQXGD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.97
Rot. Bonds4

About 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 80767680) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID80767680
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCCCNc1cncc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-4-15-12-9-14-10-13(16-12)18-7-5-17(6-8-18)11(2)19/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyAXEKVEQRRRQXGD-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-Chloropyrazin-2-yl)piperazin-2-one
CID 20396002
Tert-butyl 4-(5-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 49839965
N-cyclopropyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384005
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384049
4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 33388808
4-acetyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 53504842
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 53505989
N-(1-acetylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 53520646
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 71892869
2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide
CID 71892876
N,N-dimethyl-6-piperazin-1-ylpyrazin-2-amine;hydrochloride
CID 90674680

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (CID 80767680) is 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is CCCNc1cncc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is AXEKVEQRRRQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-4-15-12-9-14-10-13(16-12)18-7-5-17(6-8-18)11(2)19/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).