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

C11H22N6O4 — CID 66883641

IUPAC2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C11H22N6O4/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,(H2,12,13,14,15)
InChIKeyJJWXIZWEJIQNDL-UHFFFAOYSA-N
MW302.34 g/mol
LogP-2.96
Rot. Bonds10

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

2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 66883641) has the molecular formula C11H22N6O4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID66883641
Molecular FormulaC11H22N6O4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESNc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C11H22N6O4/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,(H2,12,13,14,15)
InChIKeyJJWXIZWEJIQNDL-UHFFFAOYSA-N
XLogP-2.96
TPSA152.09 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-2.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 66883641) is 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is Nc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is JJWXIZWEJIQNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O4/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,(H2,12,13,14,15).
What are the key properties of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 302.34 g/mol, XLogP of -2.96, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 66883641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).