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

C9H18N6O3 — CID 19611874

IUPAC2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C9H18N6O3/c10-7-12-8(11-1-4-16)14-9(13-7)15(2-5-17)3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14)
InChIKeyNBYFIVPSXSNACA-UHFFFAOYSA-N
MW258.28 g/mol
LogP-2.35
Rot. Bonds8

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

2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19611874) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID19611874
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(NCCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C9H18N6O3/c10-7-12-8(11-1-4-16)14-9(13-7)15(2-5-17)3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14)
InChIKeyNBYFIVPSXSNACA-UHFFFAOYSA-N
XLogP-2.35
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[[4-amino-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 68587317
2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 67122999
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
2-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 167346558
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19611874) is 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol is Nc1nc(NCCO)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NBYFIVPSXSNACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3/c10-7-12-8(11-1-4-16)14-9(13-7)15(2-5-17)3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14).
What are the key properties of 2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 258.28 g/mol, XLogP of -2.35, 8 rotatable bonds, 5 hydrogen bond donors, and 9 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]amino]ethanol is sourced from PubChem (CID 19611874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).