2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide

C11H20N6O — CID 103060576

IUPAC2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cnc(NN)cn1
InChIInChI=1S/C11H20N6O/c1-3-4-13-11(18)8-17(2)7-9-5-15-10(16-12)6-14-9/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyKCWWAFXPMCKSJO-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.28
Rot. Bonds7

About 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide

2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 103060576) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
PubChem CID103060576
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cnc(NN)cn1
InChIInChI=1S/C11H20N6O/c1-3-4-13-11(18)8-17(2)7-9-5-15-10(16-12)6-14-9/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyKCWWAFXPMCKSJO-UHFFFAOYSA-N
XLogP-0.28
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.28
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-[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
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
CID 103060559
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 103061186
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-propylacetamide
CID 104513610
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886
1-(5-hydrazinylpyrazin-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 103060502
2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 55050607

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide (CID 103060576) is 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cnc(NN)cn1.
What is the InChIKey of 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is KCWWAFXPMCKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-4-13-11(18)8-17(2)7-9-5-15-10(16-12)6-14-9/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,18)(H,15,16).
What are the key properties of 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide?
2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 252.32 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 103060576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).