(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C13H21N5O — CID 104642780

IUPAC(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(NN)cn2)CC1(C)C
InChIInChI=1S/C13H21N5O/c1-13(2)9-18(7-6-17(13)3)12(19)11-5-4-10(16-14)8-15-11/h4-5,8,16H,6-7,9,14H2,1-3H3
InChIKeyRGXLHNIVFGKRED-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds2

About (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 104642780) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID104642780
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(NN)cn2)CC1(C)C
InChIInChI=1S/C13H21N5O/c1-13(2)9-18(7-6-17(13)3)12(19)11-5-4-10(16-14)8-15-11/h4-5,8,16H,6-7,9,14H2,1-3H3
InChIKeyRGXLHNIVFGKRED-UHFFFAOYSA-N
XLogP0.53
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
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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Related Compounds

(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642815
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314
[5-(methylamino)-2-pyridinyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745621
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
CID 104968896
(6-chloro-3-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63635890
(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817234
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
(2-bromo-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114037418

Frequently Asked Questions

What is the IUPAC name of (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 104642780) is (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(NN)cn2)CC1(C)C.
What is the InChIKey of (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is RGXLHNIVFGKRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(2)9-18(7-6-17(13)3)12(19)11-5-4-10(16-14)8-15-11/h4-5,8,16H,6-7,9,14H2,1-3H3.
What are the key properties of (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 104642780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).