2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol

C13H22N4O — CID 103056925

IUPAC2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCNc1cnc(CN2CCC(CCO)C2)cn1
InChIInChI=1S/C13H22N4O/c1-2-14-13-8-15-12(7-16-13)10-17-5-3-11(9-17)4-6-18/h7-8,11,18H,2-6,9-10H2,1H3,(H,14,16)
InChIKeyDKHAKDYQSCCSPW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 103056925) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID103056925
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCCNc1cnc(CN2CCC(CCO)C2)cn1
InChIInChI=1S/C13H22N4O/c1-2-14-13-8-15-12(7-16-13)10-17-5-3-11(9-17)4-6-18/h7-8,11,18H,2-6,9-10H2,1H3,(H,14,16)
InChIKeyDKHAKDYQSCCSPW-UHFFFAOYSA-N
XLogP1.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103056725
[4-[[5-(ethylamino)pyrazin-2-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 103056969
N-ethyl-5-[(3-propoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056216
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol (CID 103056925) is 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol is CCNc1cnc(CN2CCC(CCO)C2)cn1.
What is the InChIKey of 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DKHAKDYQSCCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-14-13-8-15-12(7-16-13)10-17-5-3-11(9-17)4-6-18/h7-8,11,18H,2-6,9-10H2,1H3,(H,14,16).
What are the key properties of 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103056925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).