4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one

C9H12ClN5O2 — CID 55124176

IUPAC4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCCOc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C9H12ClN5O2/c1-2-17-9-13-7(10)12-8(14-9)15-4-3-11-6(16)5-15/h2-5H2,1H3,(H,11,16)
InChIKeyHVEQXUZEEZLLAA-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.14
Rot. Bonds3

About 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one

4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one (PubChem CID 55124176) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one
PubChem CID55124176
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCCOc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C9H12ClN5O2/c1-2-17-9-13-7(10)12-8(14-9)15-4-3-11-6(16)5-15/h2-5H2,1H3,(H,11,16)
InChIKeyHVEQXUZEEZLLAA-UHFFFAOYSA-N
XLogP-0.14
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 2033517
2-[[4-(2-Butoxyethoxy)-6-piperazin-1-yl-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 169629443
2-(N-(4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-diethylacetamide
CID 1903051
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide
CID 3149281
4-(4-Amino-6-chloro-1,3,5-triazin-2-yl)piperazin-2-one
CID 53409902
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(4-Chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 55124249
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 55124276
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 55124277
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-methylacetamide
CID 55124453
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 55124461
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 55124468

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one (CID 55124176) is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one is CCOc1nc(Cl)nc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The InChIKey is HVEQXUZEEZLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-2-17-9-13-7(10)12-8(14-9)15-4-3-11-6(16)5-15/h2-5H2,1H3,(H,11,16).
What are the key properties of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one?
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one has a molecular weight of 257.68 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one is sourced from PubChem (CID 55124176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).