1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone

C12H21N7O — CID 34680379

IUPAC1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N7O/c1-9(20)19-6-4-18(5-7-19)8-10-14-11(13)16-12(15-10)17(2)3/h4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyCWJRINQLOBRANW-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.82
Rot. Bonds3

About 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 34680379) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID34680379
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N7O/c1-9(20)19-6-4-18(5-7-19)8-10-14-11(13)16-12(15-10)17(2)3/h4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyCWJRINQLOBRANW-UHFFFAOYSA-N
XLogP-0.82
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone (CID 34680379) is 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is CWJRINQLOBRANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-9(20)19-6-4-18(5-7-19)8-10-14-11(13)16-12(15-10)17(2)3/h4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 279.35 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 34680379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).