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

C17H34N4O2 — CID 130290513

IUPAC2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-16(19-20-21)17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3
InChIKeyHIGKZDYXDKYVRX-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.34
Rot. Bonds14

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

2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol (PubChem CID 130290513) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol
PubChem CID130290513
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-16(19-20-21)17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3
InChIKeyHIGKZDYXDKYVRX-UHFFFAOYSA-N
XLogP2.34
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.34
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-Amino-2-(1-heptyltriazol-4-yl)propane-1,3-diol
CID 151179162
2-Amino-2-(1-octyltriazol-4-yl)propane-1,3-diol
CID 152009159
2-Amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol
CID 152564294
2-Amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
CID 152692823
2-amino-2-(1-nonyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol hydrochloride
CID 153357652
Vonifimod
CID 142441856
2-[2-(1-decyl-1H-1,2,3-triazol-4-yl)ethyl]-1,3-dihydroxypropan-2-aminium
CID 167993657
4-[4-(1-Aminocyclohexyl)triazol-1-yl]butan-1-ol
CID 118334007
2-Amino-2-[3-(1-tetradecyltriazol-4-yl)propyl]propane-1,3-diol;hydrochloride
CID 122700852
2-Amino-2-[(1-icosyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701082
2-Amino-2-[2-(1-octadecyltriazol-4-yl)ethyl]propane-1,3-diol;hydrochloride
CID 122701088
2-Amino-2-[(1-tetradecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701091

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol (CID 130290513) is 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol is CCCCCCCCCCCCn1cc(C(N)(CO)CO)nn1.
What is the InChIKey of 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol?
The InChIKey is HIGKZDYXDKYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-16(19-20-21)17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3.
What are the key properties of 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol?
2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol has a molecular weight of 326.49 g/mol, XLogP of 2.34, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol is sourced from PubChem (CID 130290513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).