3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one

C13H23N3O2 — CID 62928158

IUPAC3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCCCN(CCO)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-4-5-7-15(9-10-17)12-13(18)16(11(2)3)8-6-14-12/h6,8,11,17H,4-5,7,9-10H2,1-3H3
InChIKeyCLNRZNGAPVPTPF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.42
Rot. Bonds7

About 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one

3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62928158) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID62928158
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCCCN(CCO)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H23N3O2/c1-4-5-7-15(9-10-17)12-13(18)16(11(2)3)8-6-14-12/h6,8,11,17H,4-5,7,9-10H2,1-3H3
InChIKeyCLNRZNGAPVPTPF-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 62928158) is 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one is CCCCN(CCO)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is CLNRZNGAPVPTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-7-15(9-10-17)12-13(18)16(11(2)3)8-6-14-12/h6,8,11,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62928158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).