2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole

C14H29N3 — CID 69382114

IUPAC2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
SMILESCCCCC1N(CC(C)C)C=NN1CCCC
InChIInChI=1S/C14H29N3/c1-5-7-9-14-16(11-13(3)4)12-15-17(14)10-8-6-2/h12-14H,5-11H2,1-4H3
InChIKeyUBRISXUFWYILIC-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.52
Rot. Bonds8

About 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole

2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole (PubChem CID 69382114) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
PubChem CID69382114
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
SMILESCCCCC1N(CC(C)C)C=NN1CCCC
InChIInChI=1S/C14H29N3/c1-5-7-9-14-16(11-13(3)4)12-15-17(14)10-8-6-2/h12-14H,5-11H2,1-4H3
InChIKeyUBRISXUFWYILIC-UHFFFAOYSA-N
XLogP3.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

3-butyl-4-fluoro-2-hexyl-3H-1,2,4-triazole
CID 87803672
2-butyl-4-chloro-3-propyl-3H-1,2,4-triazole
CID 87804672
2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole
CID 69387208
3-butyl-4-tert-butyl-2-hexyl-3H-1,2,4-triazole
CID 69383600
2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole
CID 69386554
4-(2-methylpropyl)-3-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3H-1,2,4-triazole
CID 87804078
4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69385016
2-hexyl-4-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69388534
2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
CID 69382894
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
2-butyl-4-chloro-3-propan-2-yl-3H-1,2,4-triazole
CID 87803233
3-butyl-4-(1,1,2,2,2-pentachloroethyl)-2-propyl-3H-1,2,4-triazole
CID 69382257

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole?
The IUPAC name of 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole (CID 69382114) is 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole.
What is the SMILES notation for 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole?
The canonical SMILES for 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole is CCCCC1N(CC(C)C)C=NN1CCCC.
What is the InChIKey of 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole?
The InChIKey is UBRISXUFWYILIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-7-9-14-16(11-13(3)4)12-15-17(14)10-8-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole?
2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole has a molecular weight of 239.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole is sourced from PubChem (CID 69382114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).