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

C12H15N7O — CID 106412064

IUPAC6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCc2ncno2)n1
InChIInChI=1S/C12H15N7O/c1-2-13-9-7-19-6-5-15-12(19)11(18-9)14-4-3-10-16-8-17-20-10/h5-8,13H,2-4H2,1H3,(H,14,18)
InChIKeyAXWFMQIVLKMHTI-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.20
Rot. Bonds6

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

6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 106412064) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID106412064
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NCCc2ncno2)n1
InChIInChI=1S/C12H15N7O/c1-2-13-9-7-19-6-5-15-12(19)11(18-9)14-4-3-10-16-8-17-20-10/h5-8,13H,2-4H2,1H3,(H,14,18)
InChIKeyAXWFMQIVLKMHTI-UHFFFAOYSA-N
XLogP1.20
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80840517
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80835650
6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
8-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80823604
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbutan-1-ol
CID 80844271
6-N-ethyl-8-N-(oxan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80815215
6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80837011
8-N-(2,6-dimethylpiperidin-1-yl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 83033987
6-N-ethyl-8-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80789191

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 106412064) is 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(NCCc2ncno2)n1.
What is the InChIKey of 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is AXWFMQIVLKMHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c1-2-13-9-7-19-6-5-15-12(19)11(18-9)14-4-3-10-16-8-17-20-10/h5-8,13H,2-4H2,1H3,(H,14,18).
What are the key properties of 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 273.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 106412064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).