4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione

C11H13Cl2N5O2 — CID 102762240

IUPAC4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N5O2/c1-2-7-11(20)15-8(19)4-18(7)10-6(13)3-5(12)9(16-10)17-14/h3,7H,2,4,14H2,1H3,(H,16,17)(H,15,19,20)
InChIKeyZCGCDDDLKQYVQD-UHFFFAOYSA-N
MW318.16 g/mol
LogP0.92
Rot. Bonds3

About 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione

4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione (PubChem CID 102762240) has the molecular formula C11H13Cl2N5O2 and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
PubChem CID102762240
Molecular FormulaC11H13Cl2N5O2
Molecular Weight318.16 g/mol
Exact Mass317.04
IUPAC Name4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N5O2/c1-2-7-11(20)15-8(19)4-18(7)10-6(13)3-5(12)9(16-10)17-14/h3,7H,2,4,14H2,1H3,(H,16,17)(H,15,19,20)
InChIKeyZCGCDDDLKQYVQD-UHFFFAOYSA-N
XLogP0.92
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 50.92
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
CID 80925457
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylpiperazine-2,6-dione
CID 81037837
4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66067833
[3,5-dichloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102761732
4-[3,5-dichloro-6-(propylamino)-2-pyridinyl]piperazine-2,6-dione
CID 102758853
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
CID 66068280
4-(4-chlorophthalazin-1-yl)-3-ethylpiperazine-2,6-dione
CID 66067447

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione (CID 102762240) is 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is ZCGCDDDLKQYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O2/c1-2-7-11(20)15-8(19)4-18(7)10-6(13)3-5(12)9(16-10)17-14/h3,7H,2,4,14H2,1H3,(H,16,17)(H,15,19,20).
What are the key properties of 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione?
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 318.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 102762240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).