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

C14H13N7 — CID 80903968

IUPAC2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc(NN)cn3ccnc23)cc1
InChIInChI=1S/C14H13N7/c15-6-5-10-1-3-11(4-2-10)18-13-14-17-7-8-21(14)9-12(19-13)20-16/h1-4,7-9,20H,5,16H2,(H,18,19)
InChIKeyIIVQOKXWTDUHQS-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.82
Rot. Bonds4

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

2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile (PubChem CID 80903968) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile
PubChem CID80903968
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2nc(NN)cn3ccnc23)cc1
InChIInChI=1S/C14H13N7/c15-6-5-10-1-3-11(4-2-10)18-13-14-17-7-8-21(14)9-12(19-13)20-16/h1-4,7-9,20H,5,16H2,(H,18,19)
InChIKeyIIVQOKXWTDUHQS-UHFFFAOYSA-N
XLogP1.82
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
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-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 80887550
6-hydrazinyl-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 80928287
6-hydrazinyl-N-phenylimidazo[1,2-a]pyrazin-8-amine
CID 80920384
2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile
CID 80911184
5-fluoro-2-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]benzonitrile
CID 82682483
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
N-(2,2-dimethylpropyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80899650
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
N-(2,5-dibromophenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80896841
6-hydrazinyl-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 80932271
N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107795439
N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile (CID 80903968) is 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile is N#CCc1ccc(Nc2nc(NN)cn3ccnc23)cc1.
What is the InChIKey of 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile?
The InChIKey is IIVQOKXWTDUHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c15-6-5-10-1-3-11(4-2-10)18-13-14-17-7-8-21(14)9-12(19-13)20-16/h1-4,7-9,20H,5,16H2,(H,18,19).
What are the key properties of 2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile?
2-[4-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]acetonitrile has a molecular weight of 279.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 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)amino]phenyl]acetonitrile is sourced from PubChem (CID 80903968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).