1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

C9H17N3 — CID 58152515

IUPAC1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(C(C)C)n(C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-10-9(7(3)4)12(5)11-8/h6-7H,1-5H3
InChIKeyYJCKOJOLUTXBBV-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.06
Rot. Bonds2

About 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole

1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 58152515) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID58152515
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(C(C)C)n(C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-10-9(7(3)4)12(5)11-8/h6-7H,1-5H3
InChIKeyYJCKOJOLUTXBBV-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3,5-di(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 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole (CID 58152515) is 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1nc(C(C)C)n(C)n1.
What is the InChIKey of 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is YJCKOJOLUTXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-10-9(7(3)4)12(5)11-8/h6-7H,1-5H3.
What are the key properties of 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole?
1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 167.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 58152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).