N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline

C13H16FN5 — CID 103060533

IUPACN-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
SMILESCCN(Cc1cnc(NN)cn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN5/c1-2-19(12-5-3-10(14)4-6-12)9-11-7-17-13(18-15)8-16-11/h3-8H,2,9,15H2,1H3,(H,17,18)
InChIKeyZEGKFWHTAIBUCF-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline

N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline (PubChem CID 103060533) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
PubChem CID103060533
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC NameN-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
SMILESCCN(Cc1cnc(NN)cn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN5/c1-2-19(12-5-3-10(14)4-6-12)9-11-7-17-13(18-15)8-16-11/h3-8H,2,9,15H2,1H3,(H,17,18)
InChIKeyZEGKFWHTAIBUCF-UHFFFAOYSA-N
XLogP1.93
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-Hydrazinoquinoxaline
CID 289847
2-((1,2-Diphenylhydrazino)methyl)pyrazine
CID 283213
2-(3,6-dimethyl-2-pyrazinyl)-2-methyl-N-phenylhydrazinecarbothioamide
CID 852690
1-((3-Amino-6-methylpyrazin-2-yl)methyl)-3-phenylthiourea
CID 54583389
1-((3-Amino-6-ethylpyrazin-2-yl)methyl)-3-phenylthiourea
CID 54583390
1-((3-Amino-6-propylpyrazin-2-yl)methyl)-3-phenylthiourea
CID 54585309
1-((3-Amino-6-(trifluoromethyl)pyrazin-2-yl)methyl)-3-phenylthiourea
CID 54586261
2-(3-Phenyl-2-triazen-1-yl)pyridine
CID 13681028
I 476
CID 189084
N-(4-fluorophenyl)-2-(2-pyridinyl)hydrazinecarbothioamide
CID 16654066
N'-anilinopyrazine-2-carboxamidine
CID 398861
N'-(pyridin-2-ylamino)pyrazine-2-carboximidamide
CID 10822510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline (CID 103060533) is N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline is CCN(Cc1cnc(NN)cn1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The InChIKey is ZEGKFWHTAIBUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-2-19(12-5-3-10(14)4-6-12)9-11-7-17-13(18-15)8-16-11/h3-8H,2,9,15H2,1H3,(H,17,18).
What are the key properties of N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline has a molecular weight of 261.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline is sourced from PubChem (CID 103060533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).