2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol

C19H32N10O — CID 66749153

IUPAC2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol
SMILESCC(C)(C)n1cc(CN(Cc2cn(CCO)nn2)Cc2cn(C(C)(C)C)nn2)nn1
InChIInChI=1S/C19H32N10O/c1-18(2,3)28-13-16(21-24-28)10-26(9-15-12-27(7-8-30)23-20-15)11-17-14-29(25-22-17)19(4,5)6/h12-14,30H,7-11H2,1-6H3
InChIKeyXBVKUBCNAWDEHC-UHFFFAOYSA-N
MW416.53 g/mol
LogP1.17
Rot. Bonds8

About 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol

2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol (PubChem CID 66749153) has the molecular formula C19H32N10O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol
PubChem CID66749153
Molecular FormulaC19H32N10O
Molecular Weight416.53 g/mol
Exact Mass416.28
IUPAC Name2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol
SMILESCC(C)(C)n1cc(CN(Cc2cn(CCO)nn2)Cc2cn(C(C)(C)C)nn2)nn1
InChIInChI=1S/C19H32N10O/c1-18(2,3)28-13-16(21-24-28)10-26(9-15-12-27(7-8-30)23-20-15)11-17-14-29(25-22-17)19(4,5)6/h12-14,30H,7-11H2,1-6H3
InChIKeyXBVKUBCNAWDEHC-UHFFFAOYSA-N
XLogP1.17
TPSA115.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol with MolForge

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Related Compounds

3-[4-[[3-azidopropyl-[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]propan-1-amine;3-[4-[[3-azidopropyl-[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 158413888
2-[2-[2-[2-[4-[[bis[[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
CID 102046479
1-[1-(2-hydroxyethyl)triazol-4-yl]propan-2-one
CID 166119284
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanol
CID 112591367
N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide
CID 129043640
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130
3-[4-[[2-[[3-hydroxypropyl(methyl)amino]diazenyl]ethyl-[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 118600931
2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
CID 66270190
1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 86807854
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol (CID 66749153) is 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol is CC(C)(C)n1cc(CN(Cc2cn(CCO)nn2)Cc2cn(C(C)(C)C)nn2)nn1.
What is the InChIKey of 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol?
The InChIKey is XBVKUBCNAWDEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N10O/c1-18(2,3)28-13-16(21-24-28)10-26(9-15-12-27(7-8-30)23-20-15)11-17-14-29(25-22-17)19(4,5)6/h12-14,30H,7-11H2,1-6H3.
What are the key properties of 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol?
2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol has a molecular weight of 416.53 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66749153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).