N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine

C18H24N4 — CID 156875351

IUPACN-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine
SMILESCCc1cnc(Cc2ccccc2)c(NCCN2CCC2)n1
InChIInChI=1S/C18H24N4/c1-2-16-14-20-17(13-15-7-4-3-5-8-15)18(21-16)19-9-12-22-10-6-11-22/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,19,21)
InChIKeyLPMKPZOYLYVVDP-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine

N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine (PubChem CID 156875351) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine
PubChem CID156875351
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine
SMILESCCc1cnc(Cc2ccccc2)c(NCCN2CCC2)n1
InChIInChI=1S/C18H24N4/c1-2-16-14-20-17(13-15-7-4-3-5-8-15)18(21-16)19-9-12-22-10-6-11-22/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,19,21)
InChIKeyLPMKPZOYLYVVDP-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine?
The IUPAC name of N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine (CID 156875351) is N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine?
The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine is CCc1cnc(Cc2ccccc2)c(NCCN2CCC2)n1.
What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine?
The InChIKey is LPMKPZOYLYVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-16-14-20-17(13-15-7-4-3-5-8-15)18(21-16)19-9-12-22-10-6-11-22/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine?
N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)ethyl]-3-benzyl-6-ethylpyrazin-2-amine is sourced from PubChem (CID 156875351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).