3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile

C12H17N7O — CID 80914110

IUPAC3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H17N7O/c1-20-8-7-18(5-2-3-13)12-11-15-4-6-19(11)9-10(16-12)17-14/h4,6,9,17H,2,5,7-8,14H2,1H3
InChIKeyIDSYGOSRQWWFMU-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.38
Rot. Bonds7

About 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80914110) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID80914110
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H17N7O/c1-20-8-7-18(5-2-3-13)12-11-15-4-6-19(11)9-10(16-12)17-14/h4,6,9,17H,2,5,7-8,14H2,1H3
InChIKeyIDSYGOSRQWWFMU-UHFFFAOYSA-N
XLogP0.38
TPSA104.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-N-ethyl-8-N-(2-methoxyethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80809254
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
CID 80905178
3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812098
6-hydrazinyl-N-(3-methoxypropyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80913733
8-N-(2-methoxyethyl)-8-N-(3-methoxypropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80806356
6-hydrazinyl-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80933012
2-[(2-amino-2-oxoethyl)-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]acetamide
CID 80919250
N,N-bis(cyclopropylmethyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80906014
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80895945
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
2-[(2-amino-2-oxoethyl)-[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80822958
5-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-methylamino]pentan-1-ol
CID 107207633

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile (CID 80914110) is 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1nc(NN)cn2ccnc12.
What is the InChIKey of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is IDSYGOSRQWWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-20-8-7-18(5-2-3-13)12-11-15-4-6-19(11)9-10(16-12)17-14/h4,6,9,17H,2,5,7-8,14H2,1H3.
What are the key properties of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 275.32 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80914110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).