2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H26N4 — CID 107464891

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCc1nn(C)cc1N1CC2CCCCN2CC1C
InChIInChI=1S/C15H26N4/c1-4-14-15(11-17(3)16-14)19-10-13-7-5-6-8-18(13)9-12(19)2/h11-13H,4-10H2,1-3H3
InChIKeyFDEHUEIICOXKED-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds2

About 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 107464891) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID107464891
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCc1nn(C)cc1N1CC2CCCCN2CC1C
InChIInChI=1S/C15H26N4/c1-4-14-15(11-17(3)16-14)19-10-13-7-5-6-8-18(13)9-12(19)2/h11-13H,4-10H2,1-3H3
InChIKeyFDEHUEIICOXKED-UHFFFAOYSA-N
XLogP2.05
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
CID 103960264
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81254486
3-methyl-2-(2,3,5-trifluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925682
3-methyl-2-(4-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926456
2-(4-bromo-2-ethylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81289207
2-[4-(bromomethyl)-2-chlorophenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107084529
2-[2-chloro-4-(chloromethyl)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 81152383
2-(6-fluoropyrimidin-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115417184
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 107464891) is 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCc1nn(C)cc1N1CC2CCCCN2CC1C.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is FDEHUEIICOXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-14-15(11-17(3)16-14)19-10-13-7-5-6-8-18(13)9-12(19)2/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 262.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 107464891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).