1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

C14H23N3O2 — CID 46231454

IUPAC1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCCc1nccnc1C(=O)CCN(CCO)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-12-14(16-7-6-15-12)13(19)5-8-17(9-10-18)11(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyCWJXXBSARSDTKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds8

About 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (PubChem CID 46231454) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
PubChem CID46231454
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCCc1nccnc1C(=O)CCN(CCO)C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-12-14(16-7-6-15-12)13(19)5-8-17(9-10-18)11(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3
InChIKeyCWJXXBSARSDTKH-UHFFFAOYSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (CID 46231454) is 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is CCc1nccnc1C(=O)CCN(CCO)C(C)C.
What is the InChIKey of 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is CWJXXBSARSDTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12-14(16-7-6-15-12)13(19)5-8-17(9-10-18)11(2)3/h6-7,11,18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrazin-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 46231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).