2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H20N4O — CID 103056819

IUPAC2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1cnc(CN2CC3CCC(O)C3C2)cn1
InChIInChI=1S/C13H20N4O/c1-14-13-5-15-10(4-16-13)7-17-6-9-2-3-12(18)11(9)8-17/h4-5,9,11-12,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyGDSFROMFHGUCDB-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.72
Rot. Bonds3

About 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103056819) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103056819
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCNc1cnc(CN2CC3CCC(O)C3C2)cn1
InChIInChI=1S/C13H20N4O/c1-14-13-5-15-10(4-16-13)7-17-6-9-2-3-12(18)11(9)8-17/h4-5,9,11-12,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyGDSFROMFHGUCDB-UHFFFAOYSA-N
XLogP0.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
CID 103056974
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399548
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine
CID 103056156
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 103056944
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
2-[(2-methyltetrazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 107052579
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
CID 106909365
6-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidine-3-carboxamide
CID 103055846
7-[[5-(methylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056618

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103056819) is 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CNc1cnc(CN2CC3CCC(O)C3C2)cn1.
What is the InChIKey of 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is GDSFROMFHGUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-13-5-15-10(4-16-13)7-17-6-9-2-3-12(18)11(9)8-17/h4-5,9,11-12,18H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 248.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103056819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).