4-amino-1-pyrazin-2-ylbutan-1-one

C8H11N3O — CID 116553317

IUPAC4-amino-1-pyrazin-2-ylbutan-1-one
SMILESNCCCC(=O)c1cnccn1
InChIInChI=1S/C8H11N3O/c9-3-1-2-8(12)7-6-10-4-5-11-7/h4-6H,1-3,9H2
InChIKeySSSQNAASTRJYAR-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.40
Rot. Bonds4

About 4-amino-1-pyrazin-2-ylbutan-1-one

4-amino-1-pyrazin-2-ylbutan-1-one (PubChem CID 116553317) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-pyrazin-2-ylbutan-1-one
PubChem CID116553317
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-1-pyrazin-2-ylbutan-1-one
SMILESNCCCC(=O)c1cnccn1
InChIInChI=1S/C8H11N3O/c9-3-1-2-8(12)7-6-10-4-5-11-7/h4-6H,1-3,9H2
InChIKeySSSQNAASTRJYAR-UHFFFAOYSA-N
XLogP0.40
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
3-[4-aminobutyl-(3-oxo-3-pyrazin-2-ylpropyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 70926051
1-pyrazin-2-ylhexan-1-one
CID 22507174
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
2-[1-(aminomethyl)cyclobutyl]-1-pyrazin-2-ylethanone
CID 116599519
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
CID 103147034

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 4-amino-1-pyrazin-2-ylbutan-1-one (CID 116553317) is 4-amino-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 4-amino-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 4-amino-1-pyrazin-2-ylbutan-1-one is NCCCC(=O)c1cnccn1.
What is the InChIKey of 4-amino-1-pyrazin-2-ylbutan-1-one?
The InChIKey is SSSQNAASTRJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-1-2-8(12)7-6-10-4-5-11-7/h4-6H,1-3,9H2.
What are the key properties of 4-amino-1-pyrazin-2-ylbutan-1-one?
4-amino-1-pyrazin-2-ylbutan-1-one has a molecular weight of 165.20 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 116553317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).