3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one

C14H24N4O2 — CID 106621438

IUPAC3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(CCO)CC2CCCN2)c1=O
InChIInChI=1S/C14H24N4O2/c1-11(2)18-7-6-16-13(14(18)20)17(8-9-19)10-12-4-3-5-15-12/h6-7,11-12,15,19H,3-5,8-10H2,1-2H3
InChIKeyUQVUJRXMKGGBIK-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.37
Rot. Bonds6

About 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 106621438) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID106621438
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N(CCO)CC2CCCN2)c1=O
InChIInChI=1S/C14H24N4O2/c1-11(2)18-7-6-16-13(14(18)20)17(8-9-19)10-12-4-3-5-15-12/h6-7,11-12,15,19H,3-5,8-10H2,1-2H3
InChIKeyUQVUJRXMKGGBIK-UHFFFAOYSA-N
XLogP0.37
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
2-[pyrrolidin-2-ylmethyl([1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]ethanol
CID 106621339
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
1-cyclopropyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106619895
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62929910
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 106621438) is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N(CCO)CC2CCCN2)c1=O.
What is the InChIKey of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is UQVUJRXMKGGBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)18-7-6-16-13(14(18)20)17(8-9-19)10-12-4-3-5-15-12/h6-7,11-12,15,19H,3-5,8-10H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 106621438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).