2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide

C13H23N7O — CID 156809040

IUPAC2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCN1CCN(c2nc(C)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C13H23N7O/c1-4-19-5-7-20(8-6-19)13-16-10(2)15-12(17-13)18(3)9-11(14)21/h4-9H2,1-3H3,(H2,14,21)
InChIKeyQXNWQMHNHQVAEO-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.76
Rot. Bonds5

About 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide

2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide (PubChem CID 156809040) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide
PubChem CID156809040
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCN1CCN(c2nc(C)nc(N(C)CC(N)=O)n2)CC1
InChIInChI=1S/C13H23N7O/c1-4-19-5-7-20(8-6-19)13-16-10(2)15-12(17-13)18(3)9-11(14)21/h4-9H2,1-3H3,(H2,14,21)
InChIKeyQXNWQMHNHQVAEO-UHFFFAOYSA-N
XLogP-0.76
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazine-2-carboxamide
CID 942832
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
1-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
CID 34680379
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4355148
4-(4-Amino-6-methyl-s-triazin-2-yl)-2-piperazinone
CID 16206908
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
2-Amino-4-carbamoyl-6-piperidino-1,3,5-triazine
CID 601007
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide (CID 156809040) is 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide is CCN1CCN(c2nc(C)nc(N(C)CC(N)=O)n2)CC1.
What is the InChIKey of 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide?
The InChIKey is QXNWQMHNHQVAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c1-4-19-5-7-20(8-6-19)13-16-10(2)15-12(17-13)18(3)9-11(14)21/h4-9H2,1-3H3,(H2,14,21).
What are the key properties of 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide?
2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide has a molecular weight of 293.38 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide is sourced from PubChem (CID 156809040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).