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

C14H29N3 — CID 69382894

IUPAC2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
SMILESCCCCN1C=NN(CCCC)C1C(C)(C)C
InChIInChI=1S/C14H29N3/c1-6-8-10-16-12-15-17(11-9-7-2)13(16)14(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyBWEQNFQYXWBBOF-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.52
Rot. Bonds6

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

2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole (PubChem CID 69382894) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
PubChem CID69382894
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
SMILESCCCCN1C=NN(CCCC)C1C(C)(C)C
InChIInChI=1S/C14H29N3/c1-6-8-10-16-12-15-17(11-9-7-2)13(16)14(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyBWEQNFQYXWBBOF-UHFFFAOYSA-N
XLogP3.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-3-tert-butyl-2-propyl-3H-1,2,4-triazole
CID 69384712
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
3-tert-butyl-2-hexyl-4-propyl-3H-1,2,4-triazole
CID 69387527
2-butyl-3-tert-butyl-4-methyl-3H-1,2,4-triazole
CID 69385535
4-butyl-2-propyl-3-(trifluoromethyl)-3H-1,2,4-triazole
CID 69383819
3,4-ditert-butyl-2-hexyl-3H-1,2,4-triazole
CID 69383042
2-butyl-4-(2,2-dimethylpropyl)-3-(1,1,2,2,2-pentachloroethyl)-3H-1,2,4-triazole
CID 69381652
3-tert-butyl-2-hexyl-4-nitro-3H-1,2,4-triazole
CID 69382853
3-bromo-2-butyl-4-(2,2-dimethylpropyl)-3H-1,2,4-triazole
CID 69383253
4-ethyl-2-hexyl-3-(1,1,2,2,2-pentachloroethyl)-3H-1,2,4-triazole
CID 69386023
2-butyl-4-fluoro-3-(trichloromethyl)-3H-1,2,4-triazole
CID 87804789
2-butyl-4-chloro-3-(1,1,2,2,2-pentachloroethyl)-3H-1,2,4-triazole
CID 87804627

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole?
The IUPAC name of 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole (CID 69382894) is 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole.
What is the SMILES notation for 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole?
The canonical SMILES for 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole is CCCCN1C=NN(CCCC)C1C(C)(C)C.
What is the InChIKey of 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole?
The InChIKey is BWEQNFQYXWBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-8-10-16-12-15-17(11-9-7-2)13(16)14(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole?
2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole has a molecular weight of 239.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole is sourced from PubChem (CID 69382894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).