3,5-dibutyl-1-tert-butyl-1,2,4-triazole

C14H27N3 — CID 58988160

IUPAC3,5-dibutyl-1-tert-butyl-1,2,4-triazole
SMILESCCCCc1nc(CCCC)n(C(C)(C)C)n1
InChIInChI=1S/C14H27N3/c1-6-8-10-12-15-13(11-9-7-2)17(16-12)14(3,4)5/h6-11H2,1-5H3
InChIKeyCTVNOUPBXVNHHS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.72
Rot. Bonds6

About 3,5-dibutyl-1-tert-butyl-1,2,4-triazole

3,5-dibutyl-1-tert-butyl-1,2,4-triazole (PubChem CID 58988160) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,5-dibutyl-1-tert-butyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dibutyl-1-tert-butyl-1,2,4-triazole
PubChem CID58988160
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3,5-dibutyl-1-tert-butyl-1,2,4-triazole
SMILESCCCCc1nc(CCCC)n(C(C)(C)C)n1
InChIInChI=1S/C14H27N3/c1-6-8-10-12-15-13(11-9-7-2)17(16-12)14(3,4)5/h6-11H2,1-5H3
InChIKeyCTVNOUPBXVNHHS-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-1-tert-butyl-1,2,4-triazole?
The IUPAC name of 3,5-dibutyl-1-tert-butyl-1,2,4-triazole (CID 58988160) is 3,5-dibutyl-1-tert-butyl-1,2,4-triazole.
What is the SMILES notation for 3,5-dibutyl-1-tert-butyl-1,2,4-triazole?
The canonical SMILES for 3,5-dibutyl-1-tert-butyl-1,2,4-triazole is CCCCc1nc(CCCC)n(C(C)(C)C)n1.
What is the InChIKey of 3,5-dibutyl-1-tert-butyl-1,2,4-triazole?
The InChIKey is CTVNOUPBXVNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-10-12-15-13(11-9-7-2)17(16-12)14(3,4)5/h6-11H2,1-5H3.
What are the key properties of 3,5-dibutyl-1-tert-butyl-1,2,4-triazole?
3,5-dibutyl-1-tert-butyl-1,2,4-triazole has a molecular weight of 237.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 58988160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).