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

C12H22N4O — CID 106165626

IUPAC3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)(CC)CCN)c1=O
InChIInChI=1S/C12H22N4O/c1-4-12(3,6-7-13)15-10-11(17)16(5-2)9-8-14-10/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyHUCRTHJWOBYEIW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.19
Rot. Bonds6

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

3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one (PubChem CID 106165626) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
PubChem CID106165626
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(C)(CC)CCN)c1=O
InChIInChI=1S/C12H22N4O/c1-4-12(3,6-7-13)15-10-11(17)16(5-2)9-8-14-10/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyHUCRTHJWOBYEIW-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142615
3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
3-methyl-3-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
CID 106165731
3-[(1-chloro-2-methylbutan-2-yl)amino]-1-methylpyrazin-2-one
CID 65028349
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
3-[(5-chloro-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142180
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
CID 154733887

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one (CID 106165626) is 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(NC(C)(CC)CCN)c1=O.
What is the InChIKey of 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one?
The InChIKey is HUCRTHJWOBYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-12(3,6-7-13)15-10-11(17)16(5-2)9-8-14-10/h8-9H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one?
3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 106165626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).