2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine

C11H19N3 — CID 135135279

IUPAC2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
SMILESCC1=C(CC2CCNC2)NC(C)C=N1
InChIInChI=1S/C11H19N3/c1-8-6-13-9(2)11(14-8)5-10-3-4-12-7-10/h6,8,10,12,14H,3-5,7H2,1-2H3
InChIKeyVPSMKDWDOGIAQI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.28
Rot. Bonds2

About 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine

2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine (PubChem CID 135135279) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine.

Molecular Properties

Compound Name2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
PubChem CID135135279
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
SMILESCC1=C(CC2CCNC2)NC(C)C=N1
InChIInChI=1S/C11H19N3/c1-8-6-13-9(2)11(14-8)5-10-3-4-12-7-10/h6,8,10,12,14H,3-5,7H2,1-2H3
InChIKeyVPSMKDWDOGIAQI-UHFFFAOYSA-N
XLogP1.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine?
The IUPAC name of 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine (CID 135135279) is 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine.
What is the SMILES notation for 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine?
The canonical SMILES for 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine is CC1=C(CC2CCNC2)NC(C)C=N1.
What is the InChIKey of 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine?
The InChIKey is VPSMKDWDOGIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-6-13-9(2)11(14-8)5-10-3-4-12-7-10/h6,8,10,12,14H,3-5,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine?
2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine has a molecular weight of 193.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine is sourced from PubChem (CID 135135279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).