3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C14H21N3 — CID 107586886

IUPAC3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cncc(N2CC3CCCN3CC2C)c1
InChIInChI=1S/C14H21N3/c1-11-6-14(8-15-7-11)17-10-13-4-3-5-16(13)9-12(17)2/h6-8,12-13H,3-5,9-10H2,1-2H3
InChIKeyPDEMLCWIICZMBH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.06
Rot. Bonds1

About 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 107586886) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID107586886
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cncc(N2CC3CCCN3CC2C)c1
InChIInChI=1S/C14H21N3/c1-11-6-14(8-15-7-11)17-10-13-4-3-5-16(13)9-12(17)2/h6-8,12-13H,3-5,9-10H2,1-2H3
InChIKeyPDEMLCWIICZMBH-UHFFFAOYSA-N
XLogP2.06
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

2-(5-bromo-3-pyridinyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104531854
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
5-methyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940906
2-(5-iodopyrimidin-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104843810
2-(2-fluoro-5-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931457
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
2-bromo-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 114060069
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
2-[5-(bromomethyl)pyrimidin-2-yl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107084550
[5-(5-methyl-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phosphane
CID 58958023
2-[3-chloro-4-(chloromethyl)phenyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114064463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 107586886) is 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cncc(N2CC3CCCN3CC2C)c1.
What is the InChIKey of 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PDEMLCWIICZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-6-14(8-15-7-11)17-10-13-4-3-5-16(13)9-12(17)2/h6-8,12-13H,3-5,9-10H2,1-2H3.
What are the key properties of 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 231.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 107586886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).