pyrazin-2-yl(pyrrolidin-3-yl)methanone

C9H11N3O — CID 116568351

IUPACpyrazin-2-yl(pyrrolidin-3-yl)methanone
SMILESO=C(c1cnccn1)C1CCNC1
InChIInChI=1S/C9H11N3O/c13-9(7-1-2-10-5-7)8-6-11-3-4-12-8/h3-4,6-7,10H,1-2,5H2
InChIKeyOWZQWCLEEYNYDD-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.27
Rot. Bonds2

About pyrazin-2-yl(pyrrolidin-3-yl)methanone

pyrazin-2-yl(pyrrolidin-3-yl)methanone (PubChem CID 116568351) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is pyrazin-2-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl(pyrrolidin-3-yl)methanone
PubChem CID116568351
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Namepyrazin-2-yl(pyrrolidin-3-yl)methanone
SMILESO=C(c1cnccn1)C1CCNC1
InChIInChI=1S/C9H11N3O/c13-9(7-1-2-10-5-7)8-6-11-3-4-12-8/h3-4,6-7,10H,1-2,5H2
InChIKeyOWZQWCLEEYNYDD-UHFFFAOYSA-N
XLogP0.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
CID 159112921
pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
CID 130670441
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130603381
pyrazin-2-yl(thiolan-3-yl)methanone
CID 105101277
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of pyrazin-2-yl(pyrrolidin-3-yl)methanone (CID 116568351) is pyrazin-2-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for pyrazin-2-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for pyrazin-2-yl(pyrrolidin-3-yl)methanone is O=C(c1cnccn1)C1CCNC1.
What is the InChIKey of pyrazin-2-yl(pyrrolidin-3-yl)methanone?
The InChIKey is OWZQWCLEEYNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9(7-1-2-10-5-7)8-6-11-3-4-12-8/h3-4,6-7,10H,1-2,5H2.
What are the key properties of pyrazin-2-yl(pyrrolidin-3-yl)methanone?
pyrazin-2-yl(pyrrolidin-3-yl)methanone has a molecular weight of 177.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 116568351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).