3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C11H17N5O — CID 113411675

IUPAC3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESNc1cnc(NCCC(=O)N2CCCC2)cn1
InChIInChI=1S/C11H17N5O/c12-9-7-15-10(8-14-9)13-4-3-11(17)16-5-1-2-6-16/h7-8H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyKIMHEUVWLJPPMT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds4

About 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113411675) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113411675
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESNc1cnc(NCCC(=O)N2CCCC2)cn1
InChIInChI=1S/C11H17N5O/c12-9-7-15-10(8-14-9)13-4-3-11(17)16-5-1-2-6-16/h7-8H,1-6H2,(H2,12,14)(H,13,15)
InChIKeyKIMHEUVWLJPPMT-UHFFFAOYSA-N
XLogP0.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
3-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103139100
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 113411675) is 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is Nc1cnc(NCCC(=O)N2CCCC2)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KIMHEUVWLJPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-9-7-15-10(8-14-9)13-4-3-11(17)16-5-1-2-6-16/h7-8H,1-6H2,(H2,12,14)(H,13,15).
What are the key properties of 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113411675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).