2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine

C14H23N3O — CID 131937525

IUPAC2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCCCOCC1CCN(Cc2cnc(C)cn2)C1
InChIInChI=1S/C14H23N3O/c1-3-6-18-11-13-4-5-17(9-13)10-14-8-15-12(2)7-16-14/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyPEVNHIDANXBBHY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine

2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine (PubChem CID 131937525) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
PubChem CID131937525
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
SMILESCCCOCC1CCN(Cc2cnc(C)cn2)C1
InChIInChI=1S/C14H23N3O/c1-3-6-18-11-13-4-5-17(9-13)10-14-8-15-12(2)7-16-14/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyPEVNHIDANXBBHY-UHFFFAOYSA-N
XLogP2.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-(propoxymethyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95715815
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62845926
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyrazin-2-amine
CID 103056498
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
[4-(propoxymethyl)piperidin-1-yl]methanamine
CID 155739261
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine (CID 131937525) is 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine is CCCOCC1CCN(Cc2cnc(C)cn2)C1.
What is the InChIKey of 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine?
The InChIKey is PEVNHIDANXBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-18-11-13-4-5-17(9-13)10-14-8-15-12(2)7-16-14/h7-8,13H,3-6,9-11H2,1-2H3.
What are the key properties of 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine?
2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine has a molecular weight of 249.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 131937525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).