5-(2,2-dimethylpropyl)-1H-1,2,4-triazole

C7H13N3 — CID 58062522

IUPAC5-(2,2-dimethylpropyl)-1H-1,2,4-triazole
SMILESCC(C)(C)Cc1ncn[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeySSYBCLMURFWFJO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.39
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole

5-(2,2-dimethylpropyl)-1H-1,2,4-triazole (PubChem CID 58062522) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-1,2,4-triazole
PubChem CID58062522
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(2,2-dimethylpropyl)-1H-1,2,4-triazole
SMILESCC(C)(C)Cc1ncn[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3,(H,8,9,10)
InChIKeySSYBCLMURFWFJO-UHFFFAOYSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-1H-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 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole (CID 58062522) is 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole is CC(C)(C)Cc1ncn[nH]1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole?
The InChIKey is SSYBCLMURFWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3,(H,8,9,10).
What are the key properties of 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole?
5-(2,2-dimethylpropyl)-1H-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58062522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).