5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C14H22N4 — CID 66210120

IUPAC5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1nc(C)cnc1C
InChIInChI=1S/C14H22N4/c1-4-13-12-7-15-6-11(12)8-18(13)14-10(3)16-5-9(2)17-14/h5,11-13,15H,4,6-8H2,1-3H3
InChIKeyGPKMAZWWERDRKH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.53
Rot. Bonds2

About 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66210120) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66210120
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1nc(C)cnc1C
InChIInChI=1S/C14H22N4/c1-4-13-12-7-15-6-11(12)8-18(13)14-10(3)16-5-9(2)17-14/h5,11-13,15H,4,6-8H2,1-3H3
InChIKeyGPKMAZWWERDRKH-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

4-ethyl-5-(3-methyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209929
5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210482
4-ethyl-5-(5-methyl-3-nitro-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66279845
4-ethyl-5-(3-methyl-4-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208188
4-ethyl-5-(4-methyl-3-nitro-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208187
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methylpyrimidine-4-carbonitrile
CID 107552616
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline
CID 66207417
4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208598
5-(6-ethoxypyrimidin-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66320126
5-(3-chloro-4-pyridinyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79841510
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 66210118
4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208596

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66210120) is 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1c1nc(C)cnc1C.
What is the InChIKey of 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GPKMAZWWERDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-13-12-7-15-6-11(12)8-18(13)14-10(3)16-5-9(2)17-14/h5,11-13,15H,4,6-8H2,1-3H3.
What are the key properties of 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 246.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylpyrazin-2-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66210120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).