4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole

C11H19N3O — CID 115395688

IUPAC4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1CC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9(2)7-14-8-12-13-11(14)6-10-4-3-5-15-10/h8-10H,3-7H2,1-2H3
InChIKeyCFXSASBVFAGPEJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds4

About 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole

4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole (PubChem CID 115395688) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
PubChem CID115395688
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1CC1CCCO1
InChIInChI=1S/C11H19N3O/c1-9(2)7-14-8-12-13-11(14)6-10-4-3-5-15-10/h8-10H,3-7H2,1-2H3
InChIKeyCFXSASBVFAGPEJ-UHFFFAOYSA-N
XLogP1.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 115393989
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 64610440
4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366525
3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95129786
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106302880
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 64817796
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111465829

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole (CID 115395688) is 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole is CC(C)Cn1cnnc1CC1CCCO1.
What is the InChIKey of 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
The InChIKey is CFXSASBVFAGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)7-14-8-12-13-11(14)6-10-4-3-5-15-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole?
4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole has a molecular weight of 209.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 115395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).