5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine

C15H21ClN4 — CID 121358179

IUPAC5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
SMILESC=C/C(=C\C=C(/C)Cl)C1CCCN1C1=CNCC(N)=N1
InChIInChI=1S/C15H21ClN4/c1-3-12(7-6-11(2)16)13-5-4-8-20(13)15-10-18-9-14(17)19-15/h3,6-7,10,13,18H,1,4-5,8-9H2,2H3,(H2,17,19)/b11-6+,12-7+
InChIKeyXZRMEOAOXSRUIU-GNXRPPCSSA-N
MW292.81 g/mol
LogP2.47
Rot. Bonds4

About 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine

5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine (PubChem CID 121358179) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine.

Molecular Properties

Compound Name5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
PubChem CID121358179
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
SMILESC=C/C(=C\C=C(/C)Cl)C1CCCN1C1=CNCC(N)=N1
InChIInChI=1S/C15H21ClN4/c1-3-12(7-6-11(2)16)13-5-4-8-20(13)15-10-18-9-14(17)19-15/h3,6-7,10,13,18H,1,4-5,8-9H2,2H3,(H2,17,19)/b11-6+,12-7+
InChIKeyXZRMEOAOXSRUIU-GNXRPPCSSA-N
XLogP2.47
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine 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-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The IUPAC name of 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine (CID 121358179) is 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine.
What is the SMILES notation for 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The canonical SMILES for 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine is C=C/C(=C\C=C(/C)Cl)C1CCCN1C1=CNCC(N)=N1.
What is the InChIKey of 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
The InChIKey is XZRMEOAOXSRUIU-GNXRPPCSSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-12(7-6-11(2)16)13-5-4-8-20(13)15-10-18-9-14(17)19-15/h3,6-7,10,13,18H,1,4-5,8-9H2,2H3,(H2,17,19)/b11-6+,12-7+.
What are the key properties of 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine?
5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine has a molecular weight of 292.81 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3E,5E)-6-chlorohepta-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine is sourced from PubChem (CID 121358179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).