3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one

C13H22N4O — CID 114571269

IUPAC3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESCC(C)(C)NCC1CCCN1c1ncc[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)16-9-10-5-4-8-17(10)11-12(18)15-7-6-14-11/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyBMUVXOSBABUVJB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds3

About 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one

3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114571269) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
PubChem CID114571269
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESCC(C)(C)NCC1CCCN1c1ncc[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-13(2,3)16-9-10-5-4-8-17(10)11-12(18)15-7-6-14-11/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyBMUVXOSBABUVJB-UHFFFAOYSA-N
XLogP1.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 114599572
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007961
2-methyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methyl]propan-2-amine
CID 104733642
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
3-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrazin-2-one
CID 114570393
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62929060
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 79733561
1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62928711
N-[[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62592513
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
2-methyl-N-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55219733

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one (CID 114571269) is 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one is CC(C)(C)NCC1CCCN1c1ncc[nH]c1=O.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is BMUVXOSBABUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)16-9-10-5-4-8-17(10)11-12(18)15-7-6-14-11/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,15,18).
What are the key properties of 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one?
3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114571269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).