1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione

C12H16ClN5O2 — CID 79942594

IUPAC1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2nc(NN)ccc2Cl)CC1=O
InChIInChI=1S/C12H16ClN5O2/c1-2-17-6-12(20)18(7-11(17)19)5-9-8(13)3-4-10(15-9)16-14/h3-4H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyMIMCEXCYTBVANM-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.21
Rot. Bonds4

About 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione (PubChem CID 79942594) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione
PubChem CID79942594
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(Cc2nc(NN)ccc2Cl)CC1=O
InChIInChI=1S/C12H16ClN5O2/c1-2-17-6-12(20)18(7-11(17)19)5-9-8(13)3-4-10(15-9)16-14/h3-4H,2,5-7,14H2,1H3,(H,15,16)
InChIKeyMIMCEXCYTBVANM-UHFFFAOYSA-N
XLogP0.21
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione (CID 79942594) is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(Cc2nc(NN)ccc2Cl)CC1=O.
What is the InChIKey of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is MIMCEXCYTBVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-2-17-6-12(20)18(7-11(17)19)5-9-8(13)3-4-10(15-9)16-14/h3-4H,2,5-7,14H2,1H3,(H,15,16).
What are the key properties of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione?
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 297.75 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79942594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).