4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine

C12H17ClN4O — CID 63171427

IUPAC4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
SMILESClc1nccnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H17ClN4O/c13-11-12(15-3-2-14-11)17-4-1-10(9-17)16-5-7-18-8-6-16/h2-3,10H,1,4-9H2
InChIKeyLUAVJSAPQYLOFN-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.04
Rot. Bonds2

About 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine

4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine (PubChem CID 63171427) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
PubChem CID63171427
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
SMILESClc1nccnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H17ClN4O/c13-11-12(15-3-2-14-11)17-4-1-10(9-17)16-5-7-18-8-6-16/h2-3,10H,1,4-9H2
InChIKeyLUAVJSAPQYLOFN-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133484407
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
CID 129499164
2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 121201202
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652914
[5-bromo-2-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 63170938
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114926413
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine (CID 63171427) is 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine is Clc1nccnc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is LUAVJSAPQYLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-11-12(15-3-2-14-11)17-4-1-10(9-17)16-5-7-18-8-6-16/h2-3,10H,1,4-9H2.
What are the key properties of 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine?
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 268.75 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63171427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).