4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole

C10H17N3 — CID 115395310

IUPAC4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
SMILESCn1cnnc1C1C(C)(C)C1(C)C
InChIInChI=1S/C10H17N3/c1-9(2)7(10(9,3)4)8-12-11-6-13(8)5/h6-7H,1-5H3
InChIKeyMHWLXBYVWQDLDW-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.96
Rot. Bonds1

About 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole

4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole (PubChem CID 115395310) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
PubChem CID115395310
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
SMILESCn1cnnc1C1C(C)(C)C1(C)C
InChIInChI=1S/C10H17N3/c1-9(2)7(10(9,3)4)8-12-11-6-13(8)5/h6-7H,1-5H3
InChIKeyMHWLXBYVWQDLDW-UHFFFAOYSA-N
XLogP1.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole (CID 115395310) is 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole is Cn1cnnc1C1C(C)(C)C1(C)C.
What is the InChIKey of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole?
The InChIKey is MHWLXBYVWQDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)7(10(9,3)4)8-12-11-6-13(8)5/h6-7H,1-5H3.
What are the key properties of 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole?
4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 115395310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).