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

C12H17N7 — CID 80905178

IUPAC3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H17N7/c1-9(2)19(6-3-4-13)12-11-15-5-7-18(11)8-10(16-12)17-14/h5,7-9,17H,3,6,14H2,1-2H3
InChIKeyMIIDNXDAXDULEF-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.14
Rot. Bonds5

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

3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile (PubChem CID 80905178) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
PubChem CID80905178
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(NN)cn2ccnc12
InChIInChI=1S/C12H17N7/c1-9(2)19(6-3-4-13)12-11-15-5-7-18(11)8-10(16-12)17-14/h5,7-9,17H,3,6,14H2,1-2H3
InChIKeyMIIDNXDAXDULEF-UHFFFAOYSA-N
XLogP1.14
TPSA95.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-hydrazinyl-N-pentyl-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 80904431
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914110
3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812098
6-hydrazinyl-N,N-dipropylimidazo[1,2-a]pyrazin-8-amine
CID 80932710
2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-methylamino]ethanol
CID 80943950
2-[propan-2-yl-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethanol
CID 80810892
6-hydrazinyl-N-(3-methoxypropyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80913733
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80895945
5-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-methylamino]pentan-1-ol
CID 107207633
2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-(2-methylpropyl)amino]acetamide
CID 80901948
N-cyclopentyl-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80943983
2-[(2-amino-2-oxoethyl)-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]acetamide
CID 80919250

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile (CID 80905178) is 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1nc(NN)cn2ccnc12.
What is the InChIKey of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile?
The InChIKey is MIIDNXDAXDULEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-9(2)19(6-3-4-13)12-11-15-5-7-18(11)8-10(16-12)17-14/h5,7-9,17H,3,6,14H2,1-2H3.
What are the key properties of 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile?
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile has a molecular weight of 259.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80905178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).