4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one

C12H19N5O — CID 79259650

IUPAC4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1cc(NN)ccn1
InChIInChI=1S/C12H19N5O/c1-12(2)11(18)15-5-6-17(12)8-10-7-9(16-13)3-4-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyROHZFGHWRGJFMA-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.08
Rot. Bonds3

About 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one

4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 79259650) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
PubChem CID79259650
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1cc(NN)ccn1
InChIInChI=1S/C12H19N5O/c1-12(2)11(18)15-5-6-17(12)8-10-7-9(16-13)3-4-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyROHZFGHWRGJFMA-UHFFFAOYSA-N
XLogP0.08
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
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 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one (CID 79259650) is 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1Cc1cc(NN)ccn1.
What is the InChIKey of 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is ROHZFGHWRGJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(2)11(18)15-5-6-17(12)8-10-7-9(16-13)3-4-14-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one?
4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 79259650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).