1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone

C11H15Cl2N5O — CID 102762358

IUPAC1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NN)c(Cl)cc2Cl)CC1
InChIInChI=1S/C11H15Cl2N5O/c1-7(19)17-2-4-18(5-3-17)11-9(13)6-8(12)10(15-11)16-14/h6H,2-5,14H2,1H3,(H,15,16)
InChIKeyVXNIPBXRBCPVNH-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.34
Rot. Bonds2

About 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone

1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 102762358) has the molecular formula C11H15Cl2N5O and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID102762358
Molecular FormulaC11H15Cl2N5O
Molecular Weight304.18 g/mol
Exact Mass303.07
IUPAC Name1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NN)c(Cl)cc2Cl)CC1
InChIInChI=1S/C11H15Cl2N5O/c1-7(19)17-2-4-18(5-3-17)11-9(13)6-8(12)10(15-11)16-14/h6H,2-5,14H2,1H3,(H,15,16)
InChIKeyVXNIPBXRBCPVNH-UHFFFAOYSA-N
XLogP1.34
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.34
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

[3,5-dichloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 102762367
[3,5-dichloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102761732
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-(6-amino-3,5-dichloro-2-pyridinyl)piperazine-1-carboxylic acid
CID 123681527
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 102761835
1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349
1-[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 91664415
[1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperidin-2-yl]methanol
CID 102761714
3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
CID 102757965
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone (CID 102762358) is 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(NN)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is VXNIPBXRBCPVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N5O/c1-7(19)17-2-4-18(5-3-17)11-9(13)6-8(12)10(15-11)16-14/h6H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 304.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 102762358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).