3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one

C14H24N4O — CID 63759679

IUPAC3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCC2CCCN)c1=O
InChIInChI=1S/C14H24N4O/c1-2-9-17-11-8-16-13(14(17)19)18-10-4-6-12(18)5-3-7-15/h8,11-12H,2-7,9-10,15H2,1H3
InChIKeyQYFFDSNTRFWEOG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.36
Rot. Bonds6

About 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one

3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one (PubChem CID 63759679) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
PubChem CID63759679
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCCC2CCCN)c1=O
InChIInChI=1S/C14H24N4O/c1-2-9-17-11-8-16-13(14(17)19)18-10-4-6-12(18)5-3-7-15/h8,11-12H,2-7,9-10,15H2,1H3
InChIKeyQYFFDSNTRFWEOG-UHFFFAOYSA-N
XLogP1.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246
methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate
CID 62928174
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63759493
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 115313461
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 63600952
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181
1-[2-(3-aminopropyl)pyrrolidin-1-yl]isoquinolin-7-ol
CID 106543368

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one (CID 63759679) is 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one is CCCn1ccnc(N2CCCC2CCCN)c1=O.
What is the InChIKey of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one?
The InChIKey is QYFFDSNTRFWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-9-17-11-8-16-13(14(17)19)18-10-4-6-12(18)5-3-7-15/h8,11-12H,2-7,9-10,15H2,1H3.
What are the key properties of 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one?
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one is sourced from PubChem (CID 63759679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).