2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline

C12H14FN5 — CID 103060603

IUPAC2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
SMILESCN(Cc1cnc(NN)cn1)c1ccccc1F
InChIInChI=1S/C12H14FN5/c1-18(11-5-3-2-4-10(11)13)8-9-6-16-12(17-14)7-15-9/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyGVIRZLDVAXQWKC-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.54
Rot. Bonds4

About 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline

2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline (PubChem CID 103060603) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
PubChem CID103060603
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
SMILESCN(Cc1cnc(NN)cn1)c1ccccc1F
InChIInChI=1S/C12H14FN5/c1-18(11-5-3-2-4-10(11)13)8-9-6-16-12(17-14)7-15-9/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyGVIRZLDVAXQWKC-UHFFFAOYSA-N
XLogP1.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.54
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

1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
1-(4-bromophenyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylmethanamine
CID 103060724
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869
N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060815
1-(5-hydrazinylpyrazin-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 103060502
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
N-benzyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103060861
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 103061186
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 103060692
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060533
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline?
The IUPAC name of 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline (CID 103060603) is 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline is CN(Cc1cnc(NN)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline?
The InChIKey is GVIRZLDVAXQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-18(11-5-3-2-4-10(11)13)8-9-6-16-12(17-14)7-15-9/h2-7H,8,14H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline?
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline has a molecular weight of 247.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 103060603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).