3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one

C15H28N4O — CID 63761014

IUPAC3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCCC(CC)N(CCN)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H28N4O/c1-6-12(7-2)18(10-8-16)13-14(20)19(11-9-17-13)15(3,4)5/h9,11-12H,6-8,10,16H2,1-5H3
InChIKeyBOBMQERLYXEBSS-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one

3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one (PubChem CID 63761014) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one
PubChem CID63761014
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one
SMILESCCC(CC)N(CCN)c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H28N4O/c1-6-12(7-2)18(10-8-16)13-14(20)19(11-9-17-13)15(3,4)5/h9,11-12H,6-8,10,16H2,1-5H3
InChIKeyBOBMQERLYXEBSS-UHFFFAOYSA-N
XLogP1.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 55155444
3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938766
3-[3-bromobutyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 113499996
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
CID 62939610
6-[2-aminoethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63760592
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
CID 66182628
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106543352
3-[(2-aminophenyl)methyl-methylamino]-1-tert-butylpyrazin-2-one
CID 62929545
3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one (CID 63761014) is 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one is CCC(CC)N(CCN)c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one?
The InChIKey is BOBMQERLYXEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-12(7-2)18(10-8-16)13-14(20)19(11-9-17-13)15(3,4)5/h9,11-12H,6-8,10,16H2,1-5H3.
What are the key properties of 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one?
3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one has a molecular weight of 280.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 63761014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).