3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one

C13H21N3O2 — CID 62927250

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-8-16-9-7-14-11(12(16)18)15-13(10-17)5-3-4-6-13/h7,9,17H,2-6,8,10H2,1H3,(H,14,15)
InChIKeyUMUSEYDJZJZQRW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one (PubChem CID 62927250) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one
PubChem CID62927250
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2(CO)CCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-8-16-9-7-14-11(12(16)18)15-13(10-17)5-3-4-6-13/h7,9,17H,2-6,8,10H2,1H3,(H,14,15)
InChIKeyUMUSEYDJZJZQRW-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one (CID 62927250) is 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2(CO)CCCC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one?
The InChIKey is UMUSEYDJZJZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-8-16-9-7-14-11(12(16)18)15-13(10-17)5-3-4-6-13/h7,9,17H,2-6,8,10H2,1H3,(H,14,15).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).