5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one

C12H18N4O2 — CID 72925848

IUPAC5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1N
InChIInChI=1S/C12H18N4O2/c1-2-3-8-6-16(7-9(8)13)12(18)10-4-15-11(17)5-14-10/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyJKIYMBVULDLVQG-IUCAKERBSA-N
MW250.30 g/mol
LogP-0.03
Rot. Bonds3

About 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one

5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 72925848) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID72925848
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1N
InChIInChI=1S/C12H18N4O2/c1-2-3-8-6-16(7-9(8)13)12(18)10-4-15-11(17)5-14-10/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyJKIYMBVULDLVQG-IUCAKERBSA-N
XLogP-0.03
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-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 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one (CID 72925848) is 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one is CCC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1N.
What is the InChIKey of 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is JKIYMBVULDLVQG-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-3-8-6-16(7-9(8)13)12(18)10-4-15-11(17)5-14-10/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,17)/t8-,9-/m0/s1.
What are the key properties of 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one?
5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 72925848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).