[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium

C10H24N5O2+3 — CID 163937718

IUPAC[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium
SMILESC[N+]1(CC([NH3+])=O)CC[N+](C)(CC(=O)NN)CC1
InChIInChI=1S/C10H21N5O2/c1-14(7-9(11)16)3-5-15(2,6-4-14)8-10(17)13-12/h3-8,12H2,1-2H3,(H-2,11,13,16,17)/p+3
InChIKeyROFRERWGLIMUCO-UHFFFAOYSA-Q
MW246.33 g/mol
LogP-3.35
Rot. Bonds4

About [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium

[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium (PubChem CID 163937718) has the molecular formula C10H24N5O2+3 and a molecular weight of 246.33 g/mol. Its IUPAC name is [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium.

Molecular Properties

Compound Name[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium
PubChem CID163937718
Molecular FormulaC10H24N5O2+3
Molecular Weight246.33 g/mol
Exact Mass246.19
IUPAC Name[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium
SMILESC[N+]1(CC([NH3+])=O)CC[N+](C)(CC(=O)NN)CC1
InChIInChI=1S/C10H21N5O2/c1-14(7-9(11)16)3-5-15(2,6-4-14)8-10(17)13-12/h3-8,12H2,1-2H3,(H-2,11,13,16,17)/p+3
InChIKeyROFRERWGLIMUCO-UHFFFAOYSA-Q
XLogP-3.35
TPSA99.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-3.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Bis(2-hydrazinyl-2-oxoethyl)glycine hydrazide
CID 72719
Glycine, N,N-dipropyl-, hydrazide
CID 17542
1-Piperazineacetic acid, 4-methyl-, hydrazide
CID 90566
2-(Piperazin-1-yl)acetohydrazide
CID 45099474
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]acetohydrazide
CID 63584268
N1-(tert-butyl)-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45000132
N-(4-methylpiperazin-1-yl)propanamide
CID 5054390
(2-Hydrazinyl-2-oxoethyl)-tripropylazanium
CID 13743712
N-(4-acetylpiperazin-1-yl)acetamide
CID 18683344
N-methyl-2-piperazin-1-ylacetohydrazide
CID 19778604
2-(4-Methylpiperazin-1-yl)propanehydrazide
CID 19778611
2-hydrazinyl-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 20242942

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium?
The IUPAC name of [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium (CID 163937718) is [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium.
What is the SMILES notation for [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium?
The canonical SMILES for [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium is C[N+]1(CC([NH3+])=O)CC[N+](C)(CC(=O)NN)CC1.
What is the InChIKey of [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium?
The InChIKey is ROFRERWGLIMUCO-UHFFFAOYSA-Q. The full InChI is InChI=1S/C10H21N5O2/c1-14(7-9(11)16)3-5-15(2,6-4-14)8-10(17)13-12/h3-8,12H2,1-2H3,(H-2,11,13,16,17)/p+3.
What are the key properties of [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium?
[2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium has a molecular weight of 246.33 g/mol, XLogP of -3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-hydrazinyl-2-oxoethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]acetyl]azanium is sourced from PubChem (CID 163937718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).