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

C11H16ClN5O2 — CID 55215941

IUPAC4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
SMILESCCCOc1nc(Cl)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-6-19-11-15-9(12)14-10(16-11)17-5-4-13-8(18)7(17)2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyDBJLHMYYRNPMRL-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.64
Rot. Bonds4

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

4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one (PubChem CID 55215941) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
PubChem CID55215941
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
SMILESCCCOc1nc(Cl)nc(N2CCNC(=O)C2C)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-6-19-11-15-9(12)14-10(16-11)17-5-4-13-8(18)7(17)2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyDBJLHMYYRNPMRL-UHFFFAOYSA-N
XLogP0.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-Chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 71597141
1-[2-[(4,6-Dichloro-1,3,5-triazin-2-yl)-propan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153021
1-[2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-methylpropyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20225392
2,4-Dichloro-6-[1-methylpropyl[2-(3,3,5,5-tetramethyl-2-oxo-1-piperazinyl)ethyl]amino]-1,3,5-triazine
CID 53729334
1-[1-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]pentan-2-yl]-3,3,5,5-tetramethylpiperazin-2-one
CID 54272987
(2S)-2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-piperazin-1-ylpropan-1-one
CID 178623310
4-(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 55124176
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-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 55124461
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 55124503
3-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 55124511

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one (CID 55215941) is 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one is CCCOc1nc(Cl)nc(N2CCNC(=O)C2C)n1.
What is the InChIKey of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
The InChIKey is DBJLHMYYRNPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-3-6-19-11-15-9(12)14-10(16-11)17-5-4-13-8(18)7(17)2/h7H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one?
4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one has a molecular weight of 285.74 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 55215941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).