2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol

C11H22N4O2 — CID 152564294

IUPAC2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C11H22N4O2/c1-2-3-4-5-6-15-7-10(13-14-15)11(12,8-16)9-17/h7,16-17H,2-6,8-9,12H2,1H3
InChIKeyYQDOAOZVXZTIMA-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.00
Rot. Bonds8

About 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol

2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol (PubChem CID 152564294) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol
PubChem CID152564294
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C11H22N4O2/c1-2-3-4-5-6-15-7-10(13-14-15)11(12,8-16)9-17/h7,16-17H,2-6,8-9,12H2,1H3
InChIKeyYQDOAOZVXZTIMA-UHFFFAOYSA-N
XLogP-0.00
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.00
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

2-(1-pentyltriazol-4-yl)propan-2-amine
CID 63998354
2-amino-2-[(1-hexadecyltriazol-4-yl)methyl]propane-1,3-diol
CID 122701112
[1-hydroxy-2-(hydroxymethyl)-3-(1-octadecyltriazol-4-yl)propan-2-yl]azanium chloride
CID 160917861
1-hexyltriazole-4-carbaldehyde
CID 66213783
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
2,2,2-trifluoro-1-(1-nonyltriazol-4-yl)ethanone
CID 62580885
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol (CID 152564294) is 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol is CCCCCCn1cc(C(N)(CO)CO)nn1.
What is the InChIKey of 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol?
The InChIKey is YQDOAOZVXZTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-2-3-4-5-6-15-7-10(13-14-15)11(12,8-16)9-17/h7,16-17H,2-6,8-9,12H2,1H3.
What are the key properties of 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol?
2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol has a molecular weight of 242.32 g/mol, XLogP of -0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol is sourced from PubChem (CID 152564294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).