3,5-dibutyl-1-methyl-1,2,4-triazole

C11H21N3 — CID 54446376

IUPAC3,5-dibutyl-1-methyl-1,2,4-triazole
SMILESCCCCc1nc(CCCC)n(C)n1
InChIInChI=1S/C11H21N3/c1-4-6-8-10-12-11(9-7-5-2)14(3)13-10/h4-9H2,1-3H3
InChIKeyWRUUAZZGATWYIT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds6

About 3,5-dibutyl-1-methyl-1,2,4-triazole

3,5-dibutyl-1-methyl-1,2,4-triazole (PubChem CID 54446376) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,5-dibutyl-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dibutyl-1-methyl-1,2,4-triazole
PubChem CID54446376
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3,5-dibutyl-1-methyl-1,2,4-triazole
SMILESCCCCc1nc(CCCC)n(C)n1
InChIInChI=1S/C11H21N3/c1-4-6-8-10-12-11(9-7-5-2)14(3)13-10/h4-9H2,1-3H3
InChIKeyWRUUAZZGATWYIT-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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Related Compounds

1-(5-chloropentyl)-3,5-dimethyl-1H-1,2,4-triazole hydrochloride
CID 50988186
1-Ethyl-3,5-dimethyl-1H-1,2,4-triazole
CID 13010288
3,5-Dibutyl-4H-1,2,4-triazol-4-amine
CID 14338418
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
4-Amino-3,5-dipentyl-4h-1,2,4-triazole
CID 53434670
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1,5-dimethyl-1,2,4-triazole
CID 12117501
1-(2-Fluoroethyl)-3-heptyl-1,2,4-triazole
CID 21869096
3-Decyl-1-(2-fluoroethyl)-1,2,4-triazole
CID 21869107
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
CID 59585176
5-Ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 89019157

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-1-methyl-1,2,4-triazole?
The IUPAC name of 3,5-dibutyl-1-methyl-1,2,4-triazole (CID 54446376) is 3,5-dibutyl-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3,5-dibutyl-1-methyl-1,2,4-triazole?
The canonical SMILES for 3,5-dibutyl-1-methyl-1,2,4-triazole is CCCCc1nc(CCCC)n(C)n1.
What is the InChIKey of 3,5-dibutyl-1-methyl-1,2,4-triazole?
The InChIKey is WRUUAZZGATWYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-8-10-12-11(9-7-5-2)14(3)13-10/h4-9H2,1-3H3.
What are the key properties of 3,5-dibutyl-1-methyl-1,2,4-triazole?
3,5-dibutyl-1-methyl-1,2,4-triazole 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 3,5-dibutyl-1-methyl-1,2,4-triazole is sourced from PubChem (CID 54446376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).