1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole

C15H29N3 — CID 130371933

IUPAC1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole
SMILESCCCCCC(CCCCC)c1nc(C)n(C)n1
InChIInChI=1S/C15H29N3/c1-5-7-9-11-14(12-10-8-6-2)15-16-13(3)18(4)17-15/h14H,5-12H2,1-4H3
InChIKeyRPXWICWHNPAUAS-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.37
Rot. Bonds9

About 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole

1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole (PubChem CID 130371933) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole.

Molecular Properties

Compound Name1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole
PubChem CID130371933
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole
SMILESCCCCCC(CCCCC)c1nc(C)n(C)n1
InChIInChI=1S/C15H29N3/c1-5-7-9-11-14(12-10-8-6-2)15-16-13(3)18(4)17-15/h14H,5-12H2,1-4H3
InChIKeyRPXWICWHNPAUAS-UHFFFAOYSA-N
XLogP4.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.37
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

3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
1-(2,2-Difluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500044
1-(2-Fluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500103
3-(4-Fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
CID 142265865
3-Fluoro-1-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377755
5-Fluoro-1-methyl-3-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377765
(5-Dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite
CID 155116285
5-Dodecan-6-yl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 169602953
3-(1-Fluoroethyl)-1-methyl-5-pentan-3-yl-1,2,4-triazole
CID 170383493
1-Butyl-5-hexyl-1,2,4-triazole
CID 3709064

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole?
The IUPAC name of 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole (CID 130371933) is 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole.
What is the SMILES notation for 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole?
The canonical SMILES for 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole is CCCCCC(CCCCC)c1nc(C)n(C)n1.
What is the InChIKey of 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole?
The InChIKey is RPXWICWHNPAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-7-9-11-14(12-10-8-6-2)15-16-13(3)18(4)17-15/h14H,5-12H2,1-4H3.
What are the key properties of 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole?
1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole has a molecular weight of 251.42 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-undecan-6-yl-1,2,4-triazole is sourced from PubChem (CID 130371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).