3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one

C11H18N4O — CID 66216539

IUPAC3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
SMILESCCCN(c1nccn(C)c1=O)C1CNC1
InChIInChI=1S/C11H18N4O/c1-3-5-15(9-7-12-8-9)10-11(16)14(2)6-4-13-10/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKeyFKLMUNMLJIMGTH-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.03
Rot. Bonds4

About 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one

3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one (PubChem CID 66216539) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
PubChem CID66216539
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
SMILESCCCN(c1nccn(C)c1=O)C1CNC1
InChIInChI=1S/C11H18N4O/c1-3-5-15(9-7-12-8-9)10-11(16)14(2)6-4-13-10/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKeyFKLMUNMLJIMGTH-UHFFFAOYSA-N
XLogP-0.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
CID 66182628
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
CID 63760150
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
3-[2-bromoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 80669412
N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
CID 105370030
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 62940454
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
CID 102868566

Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one (CID 66216539) is 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one is CCCN(c1nccn(C)c1=O)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one?
The InChIKey is FKLMUNMLJIMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-5-15(9-7-12-8-9)10-11(16)14(2)6-4-13-10/h4,6,9,12H,3,5,7-8H2,1-2H3.
What are the key properties of 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one?
3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 66216539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).