2-[(3S)-3-propylpiperazin-1-yl]pyrazine

C11H18N4 — CID 129560902

IUPAC2-[(3S)-3-propylpiperazin-1-yl]pyrazine
SMILESCCC[C@H]1CN(CCN1)C2=NC=CN=C2
InChIInChI=1S/C11H18N4/c1-2-3-10-9-15(7-6-13-10)11-8-12-4-5-14-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyPHBCRNKRTJXGOI-JTQLQIEISA-N
MW206.29 g/mol
LogP0.90
Rot. Bonds3

About 2-[(3S)-3-propylpiperazin-1-yl]pyrazine

2-[(3S)-3-propylpiperazin-1-yl]pyrazine (PubChem CID 129560902) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3S)-3-propylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[(3S)-3-propylpiperazin-1-yl]pyrazine
PubChem CID129560902
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(3S)-3-propylpiperazin-1-yl]pyrazine
SMILESCCC[C@H]1CN(CCN1)C2=NC=CN=C2
InChIInChI=1S/C11H18N4/c1-2-3-10-9-15(7-6-13-10)11-8-12-4-5-14-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyPHBCRNKRTJXGOI-JTQLQIEISA-N
XLogP0.90
TPSA41.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity185

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-propylpiperazin-1-yl]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

{3-[4-(3-Diisobutylamino-propyl)-piperazin-1-yl]-propyl}-pyrazin-2-yl-amine
CID 44348813
1,1-Ethanediamine, N,N'-dipyrazinyl-
CID 100791
1-Piperazinylpyrazine
CID 2734639
2-(Piperidin-1-yl)pyrazine
CID 269231
2-(Piperazin-1-yl)pyrazine hydrochloride
CID 12200486
N-methyl-1-(pyrazin-2-yl)piperidin-4-amine
CID 23215508
N-cyclopropyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384005
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384049
N-(1-cyclopropylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51078473
N-(1-acetylpiperidin-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 53520646
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
N,N-dimethyl-6-piperazin-1-ylpyrazin-2-amine;hydrochloride
CID 90674680

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-propylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-[(3S)-3-propylpiperazin-1-yl]pyrazine (CID 129560902) is 2-[(3S)-3-propylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[(3S)-3-propylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-[(3S)-3-propylpiperazin-1-yl]pyrazine is CCC[C@H]1CN(CCN1)C2=NC=CN=C2.
What is the InChIKey of 2-[(3S)-3-propylpiperazin-1-yl]pyrazine?
The InChIKey is PHBCRNKRTJXGOI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4/c1-2-3-10-9-15(7-6-13-10)11-8-12-4-5-14-11/h4-5,8,10,13H,2-3,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-propylpiperazin-1-yl]pyrazine?
2-[(3S)-3-propylpiperazin-1-yl]pyrazine has a molecular weight of 206.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-propylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 129560902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).