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

C9H18N6O — CID 3138159

IUPAC2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCNc1nc(NCC)nc(NCCO)n1
InChIInChI=1S/C9H18N6O/c1-3-10-7-13-8(11-4-2)15-9(14-7)12-5-6-16/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyPWMAUNCPDJKPMM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.14
Rot. Bonds7

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

2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3138159) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3138159
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCNc1nc(NCC)nc(NCCO)n1
InChIInChI=1S/C9H18N6O/c1-3-10-7-13-8(11-4-2)15-9(14-7)12-5-6-16/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyPWMAUNCPDJKPMM-UHFFFAOYSA-N
XLogP0.14
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3138159) is 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCNc1nc(NCC)nc(NCCO)n1.
What is the InChIKey of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PWMAUNCPDJKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-3-10-7-13-8(11-4-2)15-9(14-7)12-5-6-16/h16H,3-6H2,1-2H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3138159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).