3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one

C12H22N4O — CID 63760377

IUPAC3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(CN)CC(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-4-16-6-5-14-11(12(16)17)15-10(8-13)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3,(H,14,15)
InChIKeyGXLFIYUATYSYIT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds6

About 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one

3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one (PubChem CID 63760377) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
PubChem CID63760377
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(CN)CC(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-4-16-6-5-14-11(12(16)17)15-10(8-13)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3,(H,14,15)
InChIKeyGXLFIYUATYSYIT-UHFFFAOYSA-N
XLogP1.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one (CID 63760377) is 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(NC(CN)CC(C)C)c1=O.
What is the InChIKey of 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one?
The InChIKey is GXLFIYUATYSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16-6-5-14-11(12(16)17)15-10(8-13)7-9(2)3/h5-6,9-10H,4,7-8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one?
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 63760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).