8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C13H16N6O — CID 80848887

IUPAC8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1noc(C)c1C(C)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)16-12-13-15-4-5-19(13)6-10(14)17-12/h4-7H,14H2,1-3H3,(H,16,17)
InChIKeyFKAKQAVWGJESHK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.09
Rot. Bonds3

About 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80848887) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80848887
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCc1noc(C)c1C(C)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)16-12-13-15-4-5-19(13)6-10(14)17-12/h4-7H,14H2,1-3H3,(H,16,17)
InChIKeyFKAKQAVWGJESHK-UHFFFAOYSA-N
XLogP2.09
TPSA94.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80848887) is 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is Cc1noc(C)c1C(C)Nc1nc(N)cn2ccnc12.
What is the InChIKey of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is FKAKQAVWGJESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-7(11-8(2)18-20-9(11)3)16-12-13-15-4-5-19(13)6-10(14)17-12/h4-7H,14H2,1-3H3,(H,16,17).
What are the key properties of 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 272.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80848887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).