2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol

C17H34N4O2 — CID 142441856

IUPAC2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol
SMILESCCCCCCCCCCn1cc(CCC(N)(CO)CO)nn1
InChIInChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-12-21-13-16(19-20-21)10-11-17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3
InChIKeyLTSWFNFQPMMTIG-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.03
Rot. Bonds14

About 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol

2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol (PubChem CID 142441856) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol
PubChem CID142441856
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol
SMILESCCCCCCCCCCn1cc(CCC(N)(CO)CO)nn1
InChIInChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-12-21-13-16(19-20-21)10-11-17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3
InChIKeyLTSWFNFQPMMTIG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol (CID 142441856) is 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol is CCCCCCCCCCn1cc(CCC(N)(CO)CO)nn1.
What is the InChIKey of 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol?
The InChIKey is LTSWFNFQPMMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-2-3-4-5-6-7-8-9-12-21-13-16(19-20-21)10-11-17(18,14-22)15-23/h13,22-23H,2-12,14-15,18H2,1H3.
What are the key properties of 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol?
2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol has a molecular weight of 326.49 g/mol, XLogP of 2.03, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(1-decyltriazol-4-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 142441856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).