3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one

C11H19N3O2 — CID 62929380

IUPAC3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CC)CCO)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-14-7-5-12-10(11(14)16)13(4-2)8-9-15/h5,7,15H,3-4,6,8-9H2,1-2H3
InChIKeyFVXTZLQTMRPCFT-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.47
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one

3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one (PubChem CID 62929380) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
PubChem CID62929380
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CC)CCO)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-14-7-5-12-10(11(14)16)13(4-2)8-9-15/h5,7,15H,3-4,6,8-9H2,1-2H3
InChIKeyFVXTZLQTMRPCFT-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one (CID 62929380) is 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(N(CC)CCO)c1=O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one?
The InChIKey is FVXTZLQTMRPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-14-7-5-12-10(11(14)16)13(4-2)8-9-15/h5,7,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one?
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62929380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).