1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone

C11H16N4O — CID 97165683

IUPAC1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@@H]1CCCN1)c1cnccn1
InChIInChI=1S/C11H16N4O/c16-11(10-7-12-4-5-15-10)8-13-6-9-2-1-3-14-9/h4-5,7,9,13-14H,1-3,6,8H2/t9-/m0/s1
InChIKeyQORCUFPMTWGEOA-VIFPVBQESA-N
MW220.28 g/mol
LogP0.00
Rot. Bonds5

About 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone

1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone (PubChem CID 97165683) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
PubChem CID97165683
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
SMILESO=C(CNC[C@@H]1CCCN1)c1cnccn1
InChIInChI=1S/C11H16N4O/c16-11(10-7-12-4-5-15-10)8-13-6-9-2-1-3-14-9/h4-5,7,9,13-14H,1-3,6,8H2/t9-/m0/s1
InChIKeyQORCUFPMTWGEOA-VIFPVBQESA-N
XLogP0.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-piperidin-2-yl]methylamino]-1-pyrazin-2-ylethanone
CID 97165671
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165678
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone?
The IUPAC name of 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone (CID 97165683) is 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone?
The canonical SMILES for 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone is O=C(CNC[C@@H]1CCCN1)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone?
The InChIKey is QORCUFPMTWGEOA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(10-7-12-4-5-15-10)8-13-6-9-2-1-3-14-9/h4-5,7,9,13-14H,1-3,6,8H2/t9-/m0/s1.
What are the key properties of 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone?
1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone has a molecular weight of 220.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone is sourced from PubChem (CID 97165683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).