6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol

C10H20N4O — CID 107706694

IUPAC6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
SMILESNCCc1cn(CCCCCCO)nn1
InChIInChI=1S/C10H20N4O/c11-6-5-10-9-14(13-12-10)7-3-1-2-4-8-15/h9,15H,1-8,11H2
InChIKeyURTFOZLCAQDYBJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.33
Rot. Bonds8

About 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol

6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol (PubChem CID 107706694) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
PubChem CID107706694
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
SMILESNCCc1cn(CCCCCCO)nn1
InChIInChI=1S/C10H20N4O/c11-6-5-10-9-14(13-12-10)7-3-1-2-4-8-15/h9,15H,1-8,11H2
InChIKeyURTFOZLCAQDYBJ-UHFFFAOYSA-N
XLogP0.33
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol (CID 107706694) is 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol is NCCc1cn(CCCCCCO)nn1.
What is the InChIKey of 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol?
The InChIKey is URTFOZLCAQDYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-6-5-10-9-14(13-12-10)7-3-1-2-4-8-15/h9,15H,1-8,11H2.
What are the key properties of 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol?
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol is sourced from PubChem (CID 107706694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).