3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide

C12H18N6O2 — CID 126829575

IUPAC3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCCCN1CCNC(=O)C1
InChIInChI=1S/C12H18N6O2/c13-11(20)10-12(17-4-3-15-10)16-2-1-6-18-7-5-14-9(19)8-18/h3-4H,1-2,5-8H2,(H2,13,20)(H,14,19)(H,16,17)
InChIKeyYJYOUCOILMUGAA-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.19
Rot. Bonds6

About 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide

3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide (PubChem CID 126829575) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide
PubChem CID126829575
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCCCN1CCNC(=O)C1
InChIInChI=1S/C12H18N6O2/c13-11(20)10-12(17-4-3-15-10)16-2-1-6-18-7-5-14-9(19)8-18/h3-4H,1-2,5-8H2,(H2,13,20)(H,14,19)(H,16,17)
InChIKeyYJYOUCOILMUGAA-UHFFFAOYSA-N
XLogP-1.19
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one
CID 131962048
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
CID 118769580
2-[2-(3-oxopiperazin-1-yl)ethyl]-1-pyrimidin-2-ylguanidine;hydrobromide
CID 167861007
4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one
CID 134707718
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 68593798
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
CID 62684494

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide (CID 126829575) is 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide is NC(=O)c1nccnc1NCCCN1CCNC(=O)C1.
What is the InChIKey of 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide?
The InChIKey is YJYOUCOILMUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c13-11(20)10-12(17-4-3-15-10)16-2-1-6-18-7-5-14-9(19)8-18/h3-4H,1-2,5-8H2,(H2,13,20)(H,14,19)(H,16,17).
What are the key properties of 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide?
3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 126829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).