4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole

C11H21N3 — CID 69381967

IUPAC4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-8(2)6-9-10(13-14-12-9)7-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyVYAKJDQLYVQMOB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole

4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole (PubChem CID 69381967) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole
PubChem CID69381967
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-8(2)6-9-10(13-14-12-9)7-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyVYAKJDQLYVQMOB-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-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

Dipropyltriazol
CID 22974743
Diisopropyltriazol
CID 23402777
Bisoctyltriazol
CID 57434747
Cyclohexyl-ethyl-triazol
CID 129632066
4-(2,2-dimethylpropyl)-5-(trifluoromethyl)-2H-triazole
CID 69382293
4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole
CID 69383502
4-(2-methylpropyl)-5-(1,1,2,2,2-pentafluoroethyl)-2H-triazole
CID 87803939
4-(2,2-dimethylpropyl)-5-(1,1,2,2,2-pentafluoroethyl)-2H-triazole
CID 87806104
4-fluoro-5-tridecan-7-yl-2H-triazole
CID 130311206
9,9-Difluoro-6-propan-2-yl-2,4,5,6,7,8-hexahydrocycloocta[d]triazole
CID 156234660
4-(difluoromethyl)-5-(2-methylpropyl)-2H-triazole
CID 167188573
4-Butan-2-yl-4-fluoro-2,5,6,7,8,9-hexahydrocycloocta[d]triazole
CID 169604521

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole (CID 69381967) is 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole is CC(C)Cc1n[nH]nc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole?
The InChIKey is VYAKJDQLYVQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)6-9-10(13-14-12-9)7-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole?
4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole has a molecular weight of 195.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-(2-methylpropyl)-2H-triazole is sourced from PubChem (CID 69381967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).