4,5-dibutyl-1-methyltriazole

C11H21N3 — CID 69382619

IUPAC4,5-dibutyl-1-methyltriazole
SMILESCCCCc1nnn(C)c1CCCC
InChIInChI=1S/C11H21N3/c1-4-6-8-10-11(9-7-5-2)14(3)13-12-10/h4-9H2,1-3H3
InChIKeyDCPFVHIIQINMHX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds6

About 4,5-dibutyl-1-methyltriazole

4,5-dibutyl-1-methyltriazole (PubChem CID 69382619) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,5-dibutyl-1-methyltriazole.

Molecular Properties

Compound Name4,5-dibutyl-1-methyltriazole
PubChem CID69382619
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4,5-dibutyl-1-methyltriazole
SMILESCCCCc1nnn(C)c1CCCC
InChIInChI=1S/C11H21N3/c1-4-6-8-10-11(9-7-5-2)14(3)13-12-10/h4-9H2,1-3H3
InChIKeyDCPFVHIIQINMHX-UHFFFAOYSA-N
XLogP2.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-1-methyltriazole?
The IUPAC name of 4,5-dibutyl-1-methyltriazole (CID 69382619) is 4,5-dibutyl-1-methyltriazole.
What is the SMILES notation for 4,5-dibutyl-1-methyltriazole?
The canonical SMILES for 4,5-dibutyl-1-methyltriazole is CCCCc1nnn(C)c1CCCC.
What is the InChIKey of 4,5-dibutyl-1-methyltriazole?
The InChIKey is DCPFVHIIQINMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-8-10-11(9-7-5-2)14(3)13-12-10/h4-9H2,1-3H3.
What are the key properties of 4,5-dibutyl-1-methyltriazole?
4,5-dibutyl-1-methyltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-1-methyltriazole is sourced from PubChem (CID 69382619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).