2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone

C10H14N4O — CID 71644010

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
SMILESN[C@H]1CCN(CC(=O)c2cnccn2)C1
InChIInChI=1S/C10H14N4O/c11-8-1-4-14(6-8)7-10(15)9-5-12-2-3-13-9/h2-3,5,8H,1,4,6-7,11H2/t8-/m0/s1
InChIKeyQABKKXAGMQYCPC-QMMMGPOBSA-N
MW206.25 g/mol
LogP-0.31
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone

2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone (PubChem CID 71644010) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
PubChem CID71644010
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
SMILESN[C@H]1CCN(CC(=O)c2cnccn2)C1
InChIInChI=1S/C10H14N4O/c11-8-1-4-14(6-8)7-10(15)9-5-12-2-3-13-9/h2-3,5,8H,1,4,6-7,11H2/t8-/m0/s1
InChIKeyQABKKXAGMQYCPC-QMMMGPOBSA-N
XLogP-0.31
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
CID 71644829
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71643827
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
CID 97167017
tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
CID 71647139
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
CID 103133386

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone (CID 71644010) is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone is N[C@H]1CCN(CC(=O)c2cnccn2)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone?
The InChIKey is QABKKXAGMQYCPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O/c11-8-1-4-14(6-8)7-10(15)9-5-12-2-3-13-9/h2-3,5,8H,1,4,6-7,11H2/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone?
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone has a molecular weight of 206.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone is sourced from PubChem (CID 71644010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).