(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone

C12H19N5O — CID 107378136

IUPAC(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(NN)cn2)C1
InChIInChI=1S/C12H19N5O/c1-2-9-4-3-5-17(8-9)12(18)10-6-15-11(16-13)7-14-10/h6-7,9H,2-5,8,13H2,1H3,(H,15,16)
InChIKeyCVNGQTSXUVGERH-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.02
Rot. Bonds3

About (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone

(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone (PubChem CID 107378136) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
PubChem CID107378136
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
SMILESCCC1CCCN(C(=O)c2cnc(NN)cn2)C1
InChIInChI=1S/C12H19N5O/c1-2-9-4-3-5-17(8-9)12(18)10-6-15-11(16-13)7-14-10/h6-7,9H,2-5,8,13H2,1H3,(H,15,16)
InChIKeyCVNGQTSXUVGERH-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.02
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

[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378752
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
(5-hydrazinylpyrazin-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107378449
N-(cyclobutylmethyl)-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107378190
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone (CID 107378136) is (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone is CCC1CCCN(C(=O)c2cnc(NN)cn2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
The InChIKey is CVNGQTSXUVGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-9-4-3-5-17(8-9)12(18)10-6-15-11(16-13)7-14-10/h6-7,9H,2-5,8,13H2,1H3,(H,15,16).
What are the key properties of (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone?
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone is sourced from PubChem (CID 107378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).