3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one

C12H20N4O — CID 62928664

IUPAC3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCNC2CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-7-15-11(12(16)17)14-6-5-13-10-3-4-10/h7-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyULJDHCYFIHXWKS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.99
Rot. Bonds6

About 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one

3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62928664) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62928664
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCNC2CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-9(2)16-8-7-15-11(12(16)17)14-6-5-13-10-3-4-10/h7-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyULJDHCYFIHXWKS-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one (CID 62928664) is 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCCNC2CC2)c1=O.
What is the InChIKey of 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ULJDHCYFIHXWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-8-7-15-11(12(16)17)14-6-5-13-10-3-4-10/h7-10,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62928664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).