4-(5-methylundecan-5-yl)-1-propan-2-yltriazole

C17H33N3 — CID 126762814

IUPAC4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
SMILESCCCCCCC(C)(CCCC)c1cn(C(C)C)nn1
InChIInChI=1S/C17H33N3/c1-6-8-10-11-13-17(5,12-9-7-2)16-14-20(15(3)4)19-18-16/h14-15H,6-13H2,1-5H3
InChIKeyNSQPKPMMFJBQRL-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.28
Rot. Bonds10

About 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole

4-(5-methylundecan-5-yl)-1-propan-2-yltriazole (PubChem CID 126762814) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
PubChem CID126762814
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
SMILESCCCCCCC(C)(CCCC)c1cn(C(C)C)nn1
InChIInChI=1S/C17H33N3/c1-6-8-10-11-13-17(5,12-9-7-2)16-14-20(15(3)4)19-18-16/h14-15H,6-13H2,1-5H3
InChIKeyNSQPKPMMFJBQRL-UHFFFAOYSA-N
XLogP5.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole 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

2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
4-(3-methylnonan-3-yl)-1-propan-2-ylpyrazole
CID 167088129
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
CID 107886607
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
CID 166406372
5-chloro-1-methyl-4-(6-methyldodecan-6-yl)triazole
CID 146377942
1-propan-2-yl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)triazole
CID 171588092
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole?
The IUPAC name of 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole (CID 126762814) is 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole.
What is the SMILES notation for 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole?
The canonical SMILES for 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole is CCCCCCC(C)(CCCC)c1cn(C(C)C)nn1.
What is the InChIKey of 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole?
The InChIKey is NSQPKPMMFJBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-8-10-11-13-17(5,12-9-7-2)16-14-20(15(3)4)19-18-16/h14-15H,6-13H2,1-5H3.
What are the key properties of 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole?
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole has a molecular weight of 279.47 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylundecan-5-yl)-1-propan-2-yltriazole is sourced from PubChem (CID 126762814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).