3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole

C23H47N3 — CID 162044589

IUPAC3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole
SMILESCCCCCCCCCCCCCCCCC(CC)(CC)N1CC=NN1
InChIInChI=1S/C23H47N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(5-2,6-3)26-22-21-24-25-26/h21,25H,4-20,22H2,1-3H3
InChIKeyYAIXCNMQWNGHAM-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.22
Rot. Bonds18

About 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole

3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole (PubChem CID 162044589) has the molecular formula C23H47N3 and a molecular weight of 365.65 g/mol. Its IUPAC name is 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole.

Molecular Properties

Compound Name3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole
PubChem CID162044589
Molecular FormulaC23H47N3
Molecular Weight365.65 g/mol
Exact Mass365.38
IUPAC Name3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole
SMILESCCCCCCCCCCCCCCCCC(CC)(CC)N1CC=NN1
InChIInChI=1S/C23H47N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(5-2,6-3)26-22-21-24-25-26/h21,25H,4-20,22H2,1-3H3
InChIKeyYAIXCNMQWNGHAM-UHFFFAOYSA-N
XLogP7.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylicosan-3-yl)-2,3-dihydrotetrazole
CID 138558390
1-(3-ethyloctadecan-3-yl)-1,2,4-triazole
CID 161095642
1-(3-methylnonadecan-3-yl)-2,5-dihydrotetrazole
CID 138558370
1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole
CID 155688243
12-bromo-12-undecyltricosane
CID 88743185
1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole?
The IUPAC name of 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole (CID 162044589) is 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole.
What is the SMILES notation for 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole?
The canonical SMILES for 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole is CCCCCCCCCCCCCCCCC(CC)(CC)N1CC=NN1.
What is the InChIKey of 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole?
The InChIKey is YAIXCNMQWNGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(5-2,6-3)26-22-21-24-25-26/h21,25H,4-20,22H2,1-3H3.
What are the key properties of 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole?
3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole has a molecular weight of 365.65 g/mol, XLogP of 7.22, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole is sourced from PubChem (CID 162044589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).