3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one

C14H23N3O2 — CID 102868566

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCCO)C2CCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17(9-4-11-18)12-5-3-6-12/h7,10,12,18H,2-6,8-9,11H2,1H3
InChIKeyGUXPKEPPYRIENU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds7

About 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one

3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one (PubChem CID 102868566) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
PubChem CID102868566
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCCO)C2CCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17(9-4-11-18)12-5-3-6-12/h7,10,12,18H,2-6,8-9,11H2,1H3
InChIKeyGUXPKEPPYRIENU-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
CID 63760150
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
3-[3-chloropropyl(cyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 102871485
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
CID 79111761
2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
CID 62939086

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one (CID 102868566) is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(N(CCCO)C2CCC2)c1=O.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one?
The InChIKey is GUXPKEPPYRIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-8-16-10-7-15-13(14(16)19)17(9-4-11-18)12-5-3-6-12/h7,10,12,18H,2-6,8-9,11H2,1H3.
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one?
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 102868566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).