2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one

C12H14N4O — CID 67355578

IUPAC2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one
SMILESNc1ccc(N2CCN3CCC=C3C2=O)cn1
InChIInChI=1S/C12H14N4O/c13-11-4-3-9(8-14-11)16-7-6-15-5-1-2-10(15)12(16)17/h2-4,8H,1,5-7H2,(H2,13,14)
InChIKeyPYTLQLDSVPSSHU-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.60
Rot. Bonds1

About 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one

2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 67355578) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID67355578
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one
SMILESNc1ccc(N2CCN3CCC=C3C2=O)cn1
InChIInChI=1S/C12H14N4O/c13-11-4-3-9(8-14-11)16-7-6-15-5-1-2-10(15)12(16)17/h2-4,8H,1,5-7H2,(H2,13,14)
InChIKeyPYTLQLDSVPSSHU-UHFFFAOYSA-N
XLogP0.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one (CID 67355578) is 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one is Nc1ccc(N2CCN3CCC=C3C2=O)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is PYTLQLDSVPSSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-4-3-9(8-14-11)16-7-6-15-5-1-2-10(15)12(16)17/h2-4,8H,1,5-7H2,(H2,13,14).
What are the key properties of 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one?
2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 230.27 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-3,4,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 67355578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).