1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol

C11H18ClN5O — CID 22481942

IUPAC1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol
SMILESCC1CN(c2nc(Cl)nc(C(C)O)n2)CC(C)N1
InChIInChI=1S/C11H18ClN5O/c1-6-4-17(5-7(2)13-6)11-15-9(8(3)18)14-10(12)16-11/h6-8,13,18H,4-5H2,1-3H3
InChIKeyJNTBPRCZHFWSOY-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.76
Rot. Bonds2

About 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol

1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol (PubChem CID 22481942) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol
PubChem CID22481942
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol
SMILESCC1CN(c2nc(Cl)nc(C(C)O)n2)CC(C)N1
InChIInChI=1S/C11H18ClN5O/c1-6-4-17(5-7(2)13-6)11-15-9(8(3)18)14-10(12)16-11/h6-8,13,18H,4-5H2,1-3H3
InChIKeyJNTBPRCZHFWSOY-UHFFFAOYSA-N
XLogP0.76
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol (CID 22481942) is 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol is CC1CN(c2nc(Cl)nc(C(C)O)n2)CC(C)N1.
What is the InChIKey of 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is JNTBPRCZHFWSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-6-4-17(5-7(2)13-6)11-15-9(8(3)18)14-10(12)16-11/h6-8,13,18H,4-5H2,1-3H3.
What are the key properties of 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol?
1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 271.75 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 22481942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).