2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol

C9H19N5O — CID 66269810

IUPAC2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
SMILESNCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C9H19N5O/c10-3-1-2-4-11-7-9-8-14(5-6-15)13-12-9/h8,11,15H,1-7,10H2
InChIKeyMAXPZUQPCIJDFR-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.90
Rot. Bonds8

About 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol

2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66269810) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
PubChem CID66269810
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
SMILESNCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C9H19N5O/c10-3-1-2-4-11-7-9-8-14(5-6-15)13-12-9/h8,11,15H,1-7,10H2
InChIKeyMAXPZUQPCIJDFR-UHFFFAOYSA-N
XLogP-0.90
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol (CID 66269810) is 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol is NCCCCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is MAXPZUQPCIJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c10-3-1-2-4-11-7-9-8-14(5-6-15)13-12-9/h8,11,15H,1-7,10H2.
What are the key properties of 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 213.28 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).