2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile

C14H12N6O — CID 80911184

IUPAC2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile
SMILESN#CCc1ccc(Oc2nc(NN)cn3ccnc23)cc1
InChIInChI=1S/C14H12N6O/c15-6-5-10-1-3-11(4-2-10)21-14-13-17-7-8-20(13)9-12(18-14)19-16/h1-4,7-9,19H,5,16H2
InChIKeyAJBPZFXGASJPFM-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile

2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile (PubChem CID 80911184) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile
PubChem CID80911184
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile
SMILESN#CCc1ccc(Oc2nc(NN)cn3ccnc23)cc1
InChIInChI=1S/C14H12N6O/c15-6-5-10-1-3-11(4-2-10)21-14-13-17-7-8-20(13)9-12(18-14)19-16/h1-4,7-9,19H,5,16H2
InChIKeyAJBPZFXGASJPFM-UHFFFAOYSA-N
XLogP1.87
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile (CID 80911184) is 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile is N#CCc1ccc(Oc2nc(NN)cn3ccnc23)cc1.
What is the InChIKey of 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile?
The InChIKey is AJBPZFXGASJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-6-5-10-1-3-11(4-2-10)21-14-13-17-7-8-20(13)9-12(18-14)19-16/h1-4,7-9,19H,5,16H2.
What are the key properties of 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile?
2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile has a molecular weight of 280.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile is sourced from PubChem (CID 80911184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).