N-tert-butyl-1,2,4-triazol-4-amine

C6H12N4 — CID 59467481

IUPACN-tert-butyl-1,2,4-triazol-4-amine
SMILESCC(C)(C)Nn1cnnc1
InChIInChI=1S/C6H12N4/c1-6(2,3)9-10-4-7-8-5-10/h4-5,9H,1-3H3
InChIKeyPTPTUJKUHUTPIZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.62
Rot. Bonds1

About N-tert-butyl-1,2,4-triazol-4-amine

N-tert-butyl-1,2,4-triazol-4-amine (PubChem CID 59467481) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-tert-butyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1,2,4-triazol-4-amine
PubChem CID59467481
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-tert-butyl-1,2,4-triazol-4-amine
SMILESCC(C)(C)Nn1cnnc1
InChIInChI=1S/C6H12N4/c1-6(2,3)9-10-4-7-8-5-10/h4-5,9H,1-3H3
InChIKeyPTPTUJKUHUTPIZ-UHFFFAOYSA-N
XLogP0.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-1,2,4-triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(1,2,4-triazol-4-ylamino)propanenitrile
CID 650754
1-tert-butyl-1H-1,2,4-triazol-5-amine
CID 62678660
1-tert-butyl-1H-1,2,4-triazol-3-amine
CID 68176294
2-tert-butyl-1H-1,2,4-triazol-2-ium
CID 498454
N-ethyl-1,2,4-triazol-4-amine
CID 3284710
N-propan-2-yl-1,2,4-triazol-4-amine
CID 3352461
N-Isobutyl-4H-1,2,4-triazol-4-amine
CID 3539625
N-butyl-4H-1,2,4-triazol-4-amine
CID 14117888
N-propyl-1,2,4-triazol-4-amine
CID 15397097
N-pentyl-1,2,4-triazol-4-amine
CID 15397098
N-ethyl-1,2,4-triazol-1-amine
CID 19994970
butan-1-amine;1H-1,2,4-triazole
CID 22361871

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2,4-triazol-4-amine?
The IUPAC name of N-tert-butyl-1,2,4-triazol-4-amine (CID 59467481) is N-tert-butyl-1,2,4-triazol-4-amine.
What is the SMILES notation for N-tert-butyl-1,2,4-triazol-4-amine?
The canonical SMILES for N-tert-butyl-1,2,4-triazol-4-amine is CC(C)(C)Nn1cnnc1.
What is the InChIKey of N-tert-butyl-1,2,4-triazol-4-amine?
The InChIKey is PTPTUJKUHUTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2,3)9-10-4-7-8-5-10/h4-5,9H,1-3H3.
What are the key properties of N-tert-butyl-1,2,4-triazol-4-amine?
N-tert-butyl-1,2,4-triazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 59467481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).