4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one

C12H17N5O2 — CID 63600752

IUPAC4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H17N5O2/c1-12(2)11(19)15-5-6-17(12)10(18)9-7-8(16-13)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyPFDZUZPPTSWZNN-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.28
Rot. Bonds2

About 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one

4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63600752) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63600752
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H17N5O2/c1-12(2)11(19)15-5-6-17(12)10(18)9-7-8(16-13)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyPFDZUZPPTSWZNN-UHFFFAOYSA-N
XLogP-0.28
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.28
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-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one (CID 63600752) is 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cc(NN)ccn1.
What is the InChIKey of 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is PFDZUZPPTSWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-12(2)11(19)15-5-6-17(12)10(18)9-7-8(16-13)3-4-14-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,19).
What are the key properties of 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinylpyridine-2-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63600752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).