1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one

C13H23N3O — CID 112753756

IUPAC1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one
SMILESCC(C)CCC(C)NCCn1ccncc1=O
InChIInChI=1S/C13H23N3O/c1-11(2)4-5-12(3)15-7-9-16-8-6-14-10-13(16)17/h6,8,10-12,15H,4-5,7,9H2,1-3H3
InChIKeyVFWSCTAYHNFMLM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds7

About 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one

1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one (PubChem CID 112753756) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one
PubChem CID112753756
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one
SMILESCC(C)CCC(C)NCCn1ccncc1=O
InChIInChI=1S/C13H23N3O/c1-11(2)4-5-12(3)15-7-9-16-8-6-14-10-13(16)17/h6,8,10-12,15H,4-5,7,9H2,1-3H3
InChIKeyVFWSCTAYHNFMLM-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide
CID 139933690
N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide
CID 146409993
1-Methyl-4-[2-(5-methylhexan-2-ylamino)ethyl]pyrazine-2,3-dione
CID 62929096
3-(5-Methylhexan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 63926307
3-(5-Methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 63926505
3-(5-Methylhexan-2-ylamino)-1-propylpyrazin-2-one
CID 63926929
1-Ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
1-[2-[(3-Methylcyclohexyl)amino]ethyl]pyrazin-2-one
CID 112753753
3-(5-Methylhexylamino)-1-propan-2-ylpyrazin-2-one
CID 113287631
1-(2-Aminobutyl)pyrazin-2-one
CID 130538504
1-(2-Amino-3-methylbutyl)pyrazin-2-one
CID 130538505
1-(2-Amino-3,3-dimethylbutyl)pyrazin-2-one
CID 130538507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one?
The IUPAC name of 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one (CID 112753756) is 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one is CC(C)CCC(C)NCCn1ccncc1=O.
What is the InChIKey of 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one?
The InChIKey is VFWSCTAYHNFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)4-5-12(3)15-7-9-16-8-6-14-10-13(16)17/h6,8,10-12,15H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one?
1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylhexan-2-ylamino)ethyl]pyrazin-2-one is sourced from PubChem (CID 112753756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).