1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone

C6H10N2O — CID 90950342

IUPAC1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone
SMILESCC(=O)C1=NCCNC1
InChIInChI=1S/C6H10N2O/c1-5(9)6-4-7-2-3-8-6/h7H,2-4H2,1H3
InChIKeyDVWULSYQYSYFQD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.38
Rot. Bonds1

About 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone

1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone (PubChem CID 90950342) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone
PubChem CID90950342
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone
SMILESCC(=O)C1=NCCNC1
InChIInChI=1S/C6H10N2O/c1-5(9)6-4-7-2-3-8-6/h7H,2-4H2,1H3
InChIKeyDVWULSYQYSYFQD-UHFFFAOYSA-N
XLogP-0.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

15-Amino-3-methyl-4,7,10,13-tetraazapentadeca-3-ene-2-one
CID 129675665
1-(1,2,3,6-Tetrahydropyrazin-3-yl)ethanone
CID 57323252
1-(Methylamino)-4-methyliminopentan-3-one
CID 88688170
4-[2-(4-Oxopentan-2-ylideneamino)ethylamino]pentan-2-one
CID 123987908

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone (CID 90950342) is 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone is CC(=O)C1=NCCNC1.
What is the InChIKey of 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone?
The InChIKey is DVWULSYQYSYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)6-4-7-2-3-8-6/h7H,2-4H2,1H3.
What are the key properties of 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone?
1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,6-tetrahydropyrazin-5-yl)ethanone is sourced from PubChem (CID 90950342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).