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

C13H17N5 — CID 103060815

IUPACN-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
SMILESCCN(Cc1cnc(NN)cn1)c1ccccc1
InChIInChI=1S/C13H17N5/c1-2-18(12-6-4-3-5-7-12)10-11-8-16-13(17-14)9-15-11/h3-9H,2,10,14H2,1H3,(H,16,17)
InChIKeyXFAZXGXLAFDELH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds5

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

N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline (PubChem CID 103060815) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
PubChem CID103060815
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
SMILESCCN(Cc1cnc(NN)cn1)c1ccccc1
InChIInChI=1S/C13H17N5/c1-2-18(12-6-4-3-5-7-12)10-11-8-16-13(17-14)9-15-11/h3-9H,2,10,14H2,1H3,(H,16,17)
InChIKeyXFAZXGXLAFDELH-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
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

N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060533
N-benzyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103060861
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]aniline
CID 62470305
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
CID 103060603
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylcyclopropanamine
CID 103060869
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886
N-ethyl-5-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62182688
N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103061017
N,N-diethylaniline;hydrazine
CID 161037544
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80613981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The IUPAC name of N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline (CID 103060815) is N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline.
What is the SMILES notation for N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The canonical SMILES for N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline is CCN(Cc1cnc(NN)cn1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
The InChIKey is XFAZXGXLAFDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-18(12-6-4-3-5-7-12)10-11-8-16-13(17-14)9-15-11/h3-9H,2,10,14H2,1H3,(H,16,17).
What are the key properties of N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline?
N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline is sourced from PubChem (CID 103060815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).