2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile

C13H13N5O — CID 103061807

IUPAC2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cnc(NN)cn2)cc1
InChIInChI=1S/C13H13N5O/c14-6-5-10-1-3-12(4-2-10)19-9-11-7-17-13(18-15)8-16-11/h1-4,7-8H,5,9,15H2,(H,17,18)
InChIKeyUOYKMJSUDZPEQS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile

2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile (PubChem CID 103061807) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile
PubChem CID103061807
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cnc(NN)cn2)cc1
InChIInChI=1S/C13H13N5O/c14-6-5-10-1-3-12(4-2-10)19-9-11-7-17-13(18-15)8-16-11/h1-4,7-8H,5,9,15H2,(H,17,18)
InChIKeyUOYKMJSUDZPEQS-UHFFFAOYSA-N
XLogP1.41
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061930
2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 79251659
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061736
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
2-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)oxyphenyl]acetonitrile
CID 80911184
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile (CID 103061807) is 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2cnc(NN)cn2)cc1.
What is the InChIKey of 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile?
The InChIKey is UOYKMJSUDZPEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-6-5-10-1-3-12(4-2-10)19-9-11-7-17-13(18-15)8-16-11/h1-4,7-8H,5,9,15H2,(H,17,18).
What are the key properties of 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile?
2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 103061807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).