2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol

C12H24N4O — CID 114099502

IUPAC2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)C(C)(C)CNCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)12(3,4)9-13-7-11-8-16(5-6-17)15-14-11/h8,10,13,17H,5-7,9H2,1-4H3
InChIKeyRALODRQVJNBGCI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds7

About 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol

2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol (PubChem CID 114099502) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
PubChem CID114099502
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)C(C)(C)CNCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)12(3,4)9-13-7-11-8-16(5-6-17)15-14-11/h8,10,13,17H,5-7,9H2,1-4H3
InChIKeyRALODRQVJNBGCI-UHFFFAOYSA-N
XLogP1.04
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100578
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
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3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol (CID 114099502) is 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol is CC(C)C(C)(C)CNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is RALODRQVJNBGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(2)12(3,4)9-13-7-11-8-16(5-6-17)15-14-11/h8,10,13,17H,5-7,9H2,1-4H3.
What are the key properties of 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 240.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 114099502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).