3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one

C11H18N4O — CID 114759174

IUPAC3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2(CCN)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-9(10(15)16)14-8-11(2-3-11)4-5-12/h6-7H,2-5,8,12H2,1H3,(H,13,14)
InChIKeyWYQNUUGKFKEUIW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.32
Rot. Bonds5

About 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one

3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one (PubChem CID 114759174) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one
PubChem CID114759174
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2(CCN)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-9(10(15)16)14-8-11(2-3-11)4-5-12/h6-7H,2-5,8,12H2,1H3,(H,13,14)
InChIKeyWYQNUUGKFKEUIW-UHFFFAOYSA-N
XLogP0.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one (CID 114759174) is 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NCC2(CCN)CC2)c1=O.
What is the InChIKey of 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is WYQNUUGKFKEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-7-6-13-9(10(15)16)14-8-11(2-3-11)4-5-12/h6-7H,2-5,8,12H2,1H3,(H,13,14).
What are the key properties of 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one?
3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-aminoethyl)cyclopropyl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 114759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).