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

C11H17ClN6O — CID 62868838

IUPAC1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H17ClN6O/c1-8(19)17-4-6-18(7-5-17)11-14-9(12)13-10(15-11)16(2)3/h4-7H2,1-3H3
InChIKeyPPGHDGFJUUAOCV-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.26
Rot. Bonds2

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

1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 62868838) has the molecular formula C11H17ClN6O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID62868838
Molecular FormulaC11H17ClN6O
Molecular Weight284.75 g/mol
Exact Mass284.12
IUPAC Name1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Cl)nc(N(C)C)n2)CC1
InChIInChI=1S/C11H17ClN6O/c1-8(19)17-4-6-18(7-5-17)11-14-9(12)13-10(15-11)16(2)3/h4-7H2,1-3H3
InChIKeyPPGHDGFJUUAOCV-UHFFFAOYSA-N
XLogP0.26
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N,N-dimethyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 62868516
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751565
1-[4-[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80901624
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 62864781
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
4-chloro-6-(4,4-diethylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63161811
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
1-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 55124643
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
4-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55144623
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 79943695

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 62868838) is 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(Cl)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PPGHDGFJUUAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6O/c1-8(19)17-4-6-18(7-5-17)11-14-9(12)13-10(15-11)16(2)3/h4-7H2,1-3H3.
What are the key properties of 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 284.75 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62868838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).