3-butyl-4,5-dimethyl-1,2,4-triazole

C8H15N3 — CID 22950941

IUPAC3-butyl-4,5-dimethyl-1,2,4-triazole
SMILESCCCCc1nnc(C)n1C
InChIInChI=1S/C8H15N3/c1-4-5-6-8-10-9-7(2)11(8)3/h4-6H2,1-3H3
InChIKeyVPAFYEIWURUKRJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.47
Rot. Bonds3

About 3-butyl-4,5-dimethyl-1,2,4-triazole

3-butyl-4,5-dimethyl-1,2,4-triazole (PubChem CID 22950941) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-butyl-4,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-butyl-4,5-dimethyl-1,2,4-triazole
PubChem CID22950941
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-butyl-4,5-dimethyl-1,2,4-triazole
SMILESCCCCc1nnc(C)n1C
InChIInChI=1S/C8H15N3/c1-4-5-6-8-10-9-7(2)11(8)3/h4-6H2,1-3H3
InChIKeyVPAFYEIWURUKRJ-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-4,5-dimethyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 4364917
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 12117503
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
3-(dimethyl-4H-1,2,4-triazol-3-yl)propan-1-amine
CID 61353394
3-(dimethyl-4H-1,2,4-triazol-3-yl)propanenitrile
CID 138040228
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
3-(chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole
CID 23462226
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
3-(3-Fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234435
3-Ethyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89019247

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-butyl-4,5-dimethyl-1,2,4-triazole (CID 22950941) is 3-butyl-4,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-butyl-4,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-butyl-4,5-dimethyl-1,2,4-triazole is CCCCc1nnc(C)n1C.
What is the InChIKey of 3-butyl-4,5-dimethyl-1,2,4-triazole?
The InChIKey is VPAFYEIWURUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-6-8-10-9-7(2)11(8)3/h4-6H2,1-3H3.
What are the key properties of 3-butyl-4,5-dimethyl-1,2,4-triazole?
3-butyl-4,5-dimethyl-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 22950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).