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

C14H28N4O2 — CID 152692823

IUPAC2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20/h10,19-20H,2-9,11-12,15H2,1H3
InChIKeyZPXWKEHHIIOEAC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.17
Rot. Bonds11

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

2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol (PubChem CID 152692823) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
PubChem CID152692823
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
SMILESCCCCCCCCCn1cc(C(N)(CO)CO)nn1
InChIInChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20/h10,19-20H,2-9,11-12,15H2,1H3
InChIKeyZPXWKEHHIIOEAC-UHFFFAOYSA-N
XLogP1.17
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.17
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-nonyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol hydrochloride
CID 153357652
2-(4-(2-Aminopropan-2-yl)-1H-1,2,3-triazol-1-yl)ethan-1-ol
CID 64005897
4-[4-(1-Aminocyclohexyl)triazol-1-yl]butan-1-ol
CID 118334007
2-Amino-2-[(1-icosyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701082
2-Amino-2-[(1-tetradecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701091
2-Amino-2-[(1-hexadecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701111
2-Amino-2-[(1-octadecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701120
2-Amino-2-[(1-tridecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122702716
2-Amino-2-(1-dodecyltriazol-4-yl)propane-1,3-diol
CID 130290513

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol (CID 152692823) is 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol is CCCCCCCCCn1cc(C(N)(CO)CO)nn1.
What is the InChIKey of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol?
The InChIKey is ZPXWKEHHIIOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-2-3-4-5-6-7-8-9-18-10-13(16-17-18)14(15,11-19)12-20/h10,19-20H,2-9,11-12,15H2,1H3.
What are the key properties of 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol?
2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol has a molecular weight of 284.40 g/mol, XLogP of 1.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol is sourced from PubChem (CID 152692823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).