5-methyl-1-propan-2-yl-1,2,4-triazole

C6H11N3 — CID 54051060

IUPAC5-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1ncnn1C(C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(3)7-4-8-9/h4-5H,1-3H3
InChIKeyLSWZRGFGMVUCTM-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.17
Rot. Bonds1

About 5-methyl-1-propan-2-yl-1,2,4-triazole

5-methyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 54051060) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-1,2,4-triazole
PubChem CID54051060
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-methyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1ncnn1C(C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(3)7-4-8-9/h4-5H,1-3H3
InChIKeyLSWZRGFGMVUCTM-UHFFFAOYSA-N
XLogP1.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-propan-2-yl-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-methyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-methyl-1-propan-2-yl-1,2,4-triazole (CID 54051060) is 5-methyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-1,2,4-triazole is Cc1ncnn1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is LSWZRGFGMVUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6(3)7-4-8-9/h4-5H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-1,2,4-triazole?
5-methyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 54051060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).