8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine

C14H21N5 — CID 80837824

IUPAC8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCCC1CCCN(c2nc(N)cn3ccnc23)CC1
InChIInChI=1S/C14H21N5/c1-2-11-4-3-7-18(8-5-11)14-13-16-6-9-19(13)10-12(15)17-14/h6,9-11H,2-5,7-8,15H2,1H3
InChIKeyPQEZAORZRGMCIJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.33
Rot. Bonds2

About 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine

8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80837824) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80837824
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine
SMILESCCC1CCCN(c2nc(N)cn3ccnc23)CC1
InChIInChI=1S/C14H21N5/c1-2-11-4-3-7-18(8-5-11)14-13-16-6-9-19(13)10-12(15)17-14/h6,9-11H,2-5,7-8,15H2,1H3
InChIKeyPQEZAORZRGMCIJ-UHFFFAOYSA-N
XLogP2.33
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine (CID 80837824) is 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine is CCC1CCCN(c2nc(N)cn3ccnc23)CC1.
What is the InChIKey of 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is PQEZAORZRGMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-11-4-3-7-18(8-5-11)14-13-16-6-9-19(13)10-12(15)17-14/h6,9-11H,2-5,7-8,15H2,1H3.
What are the key properties of 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine?
8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylazepan-1-yl)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80837824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).