4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one

C10H14N4O — CID 62847770

IUPAC4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CC(N)CC2=O)cn1
InChIInChI=1S/C10H14N4O/c1-7-3-13-9(4-12-7)6-14-5-8(11)2-10(14)15/h3-4,8H,2,5-6,11H2,1H3
InChIKeyOTJQTVCZHUSNKL-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.16
Rot. Bonds2

About 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one

4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 62847770) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
PubChem CID62847770
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1cnc(CN2CC(N)CC2=O)cn1
InChIInChI=1S/C10H14N4O/c1-7-3-13-9(4-12-7)6-14-5-8(11)2-10(14)15/h3-4,8H,2,5-6,11H2,1H3
InChIKeyOTJQTVCZHUSNKL-UHFFFAOYSA-N
XLogP-0.16
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one (CID 62847770) is 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one is Cc1cnc(CN2CC(N)CC2=O)cn1.
What is the InChIKey of 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is OTJQTVCZHUSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-3-13-9(4-12-7)6-14-5-8(11)2-10(14)15/h3-4,8H,2,5-6,11H2,1H3.
What are the key properties of 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one?
4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62847770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).