(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C12H16ClN3O — CID 106551631

IUPAC(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-3-9-5-4-8(2)16(9)12(17)10-6-14-7-11(13)15-10/h6-9H,3-5H2,1-2H3
InChIKeyOIKHQVPYYWLJTB-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.53
Rot. Bonds2

About (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 106551631) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID106551631
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-3-9-5-4-8(2)16(9)12(17)10-6-14-7-11(13)15-10/h6-9H,3-5H2,1-2H3
InChIKeyOIKHQVPYYWLJTB-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071029
(2-ethyl-5-methylpyrrolidin-1-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 83222083
(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 106551507
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 106551631) is (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cncc(Cl)n1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is OIKHQVPYYWLJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-3-9-5-4-8(2)16(9)12(17)10-6-14-7-11(13)15-10/h6-9H,3-5H2,1-2H3.
What are the key properties of (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106551631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).