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

C17H35N7O3 — CID 67122999

IUPAC2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCCC)Nc1nc(NCCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C17H35N7O3/c1-3-5-8-24(9-6-4-2)22-16-19-15(18-7-12-25)20-17(21-16)23(10-13-26)11-14-27/h25-27H,3-14H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXHSZZUFUVWUVJK-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.30
Rot. Bonds16

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

2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 67122999) has the molecular formula C17H35N7O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID67122999
Molecular FormulaC17H35N7O3
Molecular Weight385.51 g/mol
Exact Mass385.28
IUPAC Name2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCN(CCCC)Nc1nc(NCCO)nc(N(CCO)CCO)n1
InChIInChI=1S/C17H35N7O3/c1-3-5-8-24(9-6-4-2)22-16-19-15(18-7-12-25)20-17(21-16)23(10-13-26)11-14-27/h25-27H,3-14H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyXHSZZUFUVWUVJK-UHFFFAOYSA-N
XLogP0.30
TPSA129.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-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-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19611874
N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 167346558
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
CID 80796567
2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 118603009
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol (CID 67122999) is 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol is CCCCN(CCCC)Nc1nc(NCCO)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is XHSZZUFUVWUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N7O3/c1-3-5-8-24(9-6-4-2)22-16-19-15(18-7-12-25)20-17(21-16)23(10-13-26)11-14-27/h25-27H,3-14H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 385.51 g/mol, XLogP of 0.30, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 67122999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).