5-tert-butyl-1H-1,2,4-triazol-3-amine

C6H12N4 — CID 3816620

IUPAC5-tert-butyl-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1nc(N)n[nH]1
InChIInChI=1S/C6H12N4/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H3,7,8,9,10)
InChIKeyWJYHYRWRTPOGSH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.68
Rot. Bonds

About 5-tert-butyl-1H-1,2,4-triazol-3-amine

5-tert-butyl-1H-1,2,4-triazol-3-amine (PubChem CID 3816620) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-tert-butyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-1H-1,2,4-triazol-3-amine
PubChem CID3816620
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-tert-butyl-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1nc(N)n[nH]1
InChIInChI=1S/C6H12N4/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H3,7,8,9,10)
InChIKeyWJYHYRWRTPOGSH-UHFFFAOYSA-N
XLogP0.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1H-1,2,4-triazol-3-amine 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-tert-butyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-tert-butyl-1H-1,2,4-triazol-3-amine (CID 3816620) is 5-tert-butyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-tert-butyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-tert-butyl-1H-1,2,4-triazol-3-amine is CC(C)(C)c1nc(N)n[nH]1.
What is the InChIKey of 5-tert-butyl-1H-1,2,4-triazol-3-amine?
The InChIKey is WJYHYRWRTPOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3,(H3,7,8,9,10).
What are the key properties of 5-tert-butyl-1H-1,2,4-triazol-3-amine?
5-tert-butyl-1H-1,2,4-triazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3816620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).