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

C11H20ClN5O4 — CID 714433

IUPAC2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(Cl)nc(N(CCO)CCO)n1
InChIInChI=1S/C11H20ClN5O4/c12-9-13-10(16(1-5-18)2-6-19)15-11(14-9)17(3-7-20)4-8-21/h18-21H,1-8H2
InChIKeyCCOODJAWWFUZLD-UHFFFAOYSA-N
MW321.77 g/mol
LogP-1.89
Rot. Bonds10

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

2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 714433) has the molecular formula C11H20ClN5O4 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID714433
Molecular FormulaC11H20ClN5O4
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(Cl)nc(N(CCO)CCO)n1
InChIInChI=1S/C11H20ClN5O4/c12-9-13-10(16(1-5-18)2-6-19)15-11(14-9)17(3-7-20)4-8-21/h18-21H,1-8H2
InChIKeyCCOODJAWWFUZLD-UHFFFAOYSA-N
XLogP-1.89
TPSA126.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 714433) is 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(Cl)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CCOODJAWWFUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O4/c12-9-13-10(16(1-5-18)2-6-19)15-11(14-9)17(3-7-20)4-8-21/h18-21H,1-8H2.
What are the key properties of 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 321.77 g/mol, XLogP of -1.89, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 714433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).