4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C13H17N5O3 — CID 81249436

IUPAC4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cc(NN)c(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1
InChIInChI=1S/C13H17N5O3/c1-7-4-9(17-14)8(5-15-7)11(20)18-6-10(19)16-12(21)13(18,2)3/h4-5H,6,14H2,1-3H3,(H,15,17)(H,16,19,21)
InChIKeyDZKYSMACPFMTLC-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.45
Rot. Bonds2

About 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 81249436) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID81249436
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cc(NN)c(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1
InChIInChI=1S/C13H17N5O3/c1-7-4-9(17-14)8(5-15-7)11(20)18-6-10(19)16-12(21)13(18,2)3/h4-5H,6,14H2,1-3H3,(H,15,17)(H,16,19,21)
InChIKeyDZKYSMACPFMTLC-UHFFFAOYSA-N
XLogP-0.45
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.45
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 81249436) is 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is Cc1cc(NN)c(C(=O)N2CC(=O)NC(=O)C2(C)C)cn1.
What is the InChIKey of 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is DZKYSMACPFMTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-4-9(17-14)8(5-15-7)11(20)18-6-10(19)16-12(21)13(18,2)3/h4-5H,6,14H2,1-3H3,(H,15,17)(H,16,19,21).
What are the key properties of 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 291.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 81249436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).