4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one

C9H12ClN5O2 — CID 63608002

IUPAC4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
SMILESCOc1nc(Cl)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C9H12ClN5O2/c1-5-6(16)11-3-4-15(5)8-12-7(10)13-9(14-8)17-2/h5H,3-4H2,1-2H3,(H,11,16)
InChIKeyVELIZLHLSMYLPR-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.14
Rot. Bonds2

About 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one

4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one (PubChem CID 63608002) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
PubChem CID63608002
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
SMILESCOc1nc(Cl)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C9H12ClN5O2/c1-5-6(16)11-3-4-15(5)8-12-7(10)13-9(14-8)17-2/h5H,3-4H2,1-2H3,(H,11,16)
InChIKeyVELIZLHLSMYLPR-UHFFFAOYSA-N
XLogP-0.14
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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

4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
CID 66073724
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
CID 55215774
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776654
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
CID 62858844
4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-2-one
CID 104844062
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62858342
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-3-methylpiperazin-2-one
CID 56879526
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 62858177
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 63124102

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one (CID 63608002) is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one is COc1nc(Cl)nc(N2CCNC(=O)C2C)n1.
What is the InChIKey of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The InChIKey is VELIZLHLSMYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-5-6(16)11-3-4-15(5)8-12-7(10)13-9(14-8)17-2/h5H,3-4H2,1-2H3,(H,11,16).
What are the key properties of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one has a molecular weight of 257.68 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63608002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).