5-amino-1-pyrazin-2-ylhexan-1-one

C10H15N3O — CID 116610178

IUPAC5-amino-1-pyrazin-2-ylhexan-1-one
SMILESCC(N)CCCC(=O)c1cnccn1
InChIInChI=1S/C10H15N3O/c1-8(11)3-2-4-10(14)9-7-12-5-6-13-9/h5-8H,2-4,11H2,1H3
InChIKeyGVECYRCIWHSMFZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds5

About 5-amino-1-pyrazin-2-ylhexan-1-one

5-amino-1-pyrazin-2-ylhexan-1-one (PubChem CID 116610178) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-amino-1-pyrazin-2-ylhexan-1-one.

Molecular Properties

Compound Name5-amino-1-pyrazin-2-ylhexan-1-one
PubChem CID116610178
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-amino-1-pyrazin-2-ylhexan-1-one
SMILESCC(N)CCCC(=O)c1cnccn1
InChIInChI=1S/C10H15N3O/c1-8(11)3-2-4-10(14)9-7-12-5-6-13-9/h5-8H,2-4,11H2,1H3
InChIKeyGVECYRCIWHSMFZ-UHFFFAOYSA-N
XLogP1.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pyrazin-2-ylhexan-1-one?
The IUPAC name of 5-amino-1-pyrazin-2-ylhexan-1-one (CID 116610178) is 5-amino-1-pyrazin-2-ylhexan-1-one.
What is the SMILES notation for 5-amino-1-pyrazin-2-ylhexan-1-one?
The canonical SMILES for 5-amino-1-pyrazin-2-ylhexan-1-one is CC(N)CCCC(=O)c1cnccn1.
What is the InChIKey of 5-amino-1-pyrazin-2-ylhexan-1-one?
The InChIKey is GVECYRCIWHSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(11)3-2-4-10(14)9-7-12-5-6-13-9/h5-8H,2-4,11H2,1H3.
What are the key properties of 5-amino-1-pyrazin-2-ylhexan-1-one?
5-amino-1-pyrazin-2-ylhexan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pyrazin-2-ylhexan-1-one is sourced from PubChem (CID 116610178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).