1-methyl-4-(9-methyldec-7-ynyl)triazole

C14H23N3 — CID 155740061

IUPAC1-methyl-4-(9-methyldec-7-ynyl)triazole
SMILESCC(C)C#CCCCCCCc1cn(C)nn1
InChIInChI=1S/C14H23N3/c1-13(2)10-8-6-4-5-7-9-11-14-12-17(3)16-15-14/h12-13H,4-7,9,11H2,1-3H3
InChIKeyMSIRRAVGKLTLRS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.97
Rot. Bonds6

About 1-methyl-4-(9-methyldec-7-ynyl)triazole

1-methyl-4-(9-methyldec-7-ynyl)triazole (PubChem CID 155740061) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methyl-4-(9-methyldec-7-ynyl)triazole.

Molecular Properties

Compound Name1-methyl-4-(9-methyldec-7-ynyl)triazole
PubChem CID155740061
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-methyl-4-(9-methyldec-7-ynyl)triazole
SMILESCC(C)C#CCCCCCCc1cn(C)nn1
InChIInChI=1S/C14H23N3/c1-13(2)10-8-6-4-5-7-9-11-14-12-17(3)16-15-14/h12-13H,4-7,9,11H2,1-3H3
InChIKeyMSIRRAVGKLTLRS-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-pent-4-ynyltriazole
CID 58281228
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-(4-bromo-5-methylhexyl)-1-methyltriazole
CID 107055103
4-(4-bromo-5,5-dimethylhexyl)-1-methyltriazole
CID 107055110
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
4-(4-bromohexyl)-1-methyltriazole
CID 107055099
ethane;1-methyl-4-propyltriazole
CID 168923376
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-methyldec-7-ynyl)triazole?
The IUPAC name of 1-methyl-4-(9-methyldec-7-ynyl)triazole (CID 155740061) is 1-methyl-4-(9-methyldec-7-ynyl)triazole.
What is the SMILES notation for 1-methyl-4-(9-methyldec-7-ynyl)triazole?
The canonical SMILES for 1-methyl-4-(9-methyldec-7-ynyl)triazole is CC(C)C#CCCCCCCc1cn(C)nn1.
What is the InChIKey of 1-methyl-4-(9-methyldec-7-ynyl)triazole?
The InChIKey is MSIRRAVGKLTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(2)10-8-6-4-5-7-9-11-14-12-17(3)16-15-14/h12-13H,4-7,9,11H2,1-3H3.
What are the key properties of 1-methyl-4-(9-methyldec-7-ynyl)triazole?
1-methyl-4-(9-methyldec-7-ynyl)triazole has a molecular weight of 233.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-methyldec-7-ynyl)triazole is sourced from PubChem (CID 155740061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).