1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole

C18H35N3 — CID 170409875

IUPAC1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCCCC)c1ncnn1C
InChIInChI=1S/C18H35N3/c1-5-7-9-11-13-15-18(3,14-12-10-8-6-2)17-19-16-20-21(17)4/h16H,5-15H2,1-4H3
InChIKeyCRDQOVYJLBZJRZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.40
Rot. Bonds12

About 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole

1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole (PubChem CID 170409875) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
PubChem CID170409875
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
SMILESCCCCCCCC(C)(CCCCCC)c1ncnn1C
InChIInChI=1S/C18H35N3/c1-5-7-9-11-13-15-18(3,14-12-10-8-6-2)17-19-16-20-21(17)4/h16H,5-15H2,1-4H3
InChIKeyCRDQOVYJLBZJRZ-UHFFFAOYSA-N
XLogP5.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(2-methylbutan-2-yl)-1,2,4-triazole
CID 143445836
1-methyl-2-(6-methyldodecan-6-yl)-5-nitroimidazole
CID 146240078
3-chloro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377759
3-iodo-1,5-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146378442
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-ol
CID 80557998
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
5-(6-methyldodecan-6-yl)-1,2,4-oxadiazole
CID 139524801
1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146376804
5-chloro-1-methyl-4-(6-methyldodecan-6-yl)triazole
CID 146377942
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
2-iodo-1-methyl-5-(6-methyldodecan-6-yl)pyrrole
CID 146377615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The IUPAC name of 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole (CID 170409875) is 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole is CCCCCCCC(C)(CCCCCC)c1ncnn1C.
What is the InChIKey of 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole?
The InChIKey is CRDQOVYJLBZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-5-7-9-11-13-15-18(3,14-12-10-8-6-2)17-19-16-20-21(17)4/h16H,5-15H2,1-4H3.
What are the key properties of 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole?
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole has a molecular weight of 293.50 g/mol, XLogP of 5.40, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole is sourced from PubChem (CID 170409875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).