2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide

C11H20N6O — CID 103060559

IUPAC2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cnc(NN)cn1
InChIInChI=1S/C11H20N6O/c1-2-3-4-17(8-10(12)18)7-9-5-15-11(16-13)6-14-9/h5-6H,2-4,7-8,13H2,1H3,(H2,12,18)(H,15,16)
InChIKeyYNGJWQOCOUTHTB-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.15
Rot. Bonds8

About 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide

2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide (PubChem CID 103060559) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
PubChem CID103060559
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1cnc(NN)cn1
InChIInChI=1S/C11H20N6O/c1-2-3-4-17(8-10(12)18)7-9-5-15-11(16-13)6-14-9/h5-6H,2-4,7-8,13H2,1H3,(H2,12,18)(H,15,16)
InChIKeyYNGJWQOCOUTHTB-UHFFFAOYSA-N
XLogP-0.15
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
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

2-[(5-hydrazinylpyrazin-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 103060565
3-[ethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]propan-1-ol
CID 103061212
5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
CID 103055873
N-[(5-hydrazinylpyrazin-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103060605
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
CID 103060576
2-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]acetamide
CID 103055637
N'-[(5-hydrazinylpyrazin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 103061005
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
(5-propylpyrazin-2-yl)hydrazine
CID 123407613
N-benzyl-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103060861
N-(cyclopropylmethyl)-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
CID 103061017

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide (CID 103060559) is 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1cnc(NN)cn1.
What is the InChIKey of 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide?
The InChIKey is YNGJWQOCOUTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-2-3-4-17(8-10(12)18)7-9-5-15-11(16-13)6-14-9/h5-6H,2-4,7-8,13H2,1H3,(H2,12,18)(H,15,16).
What are the key properties of 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide?
2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 103060559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).