6-N-tert-butyl-1H-indazole-5,6-diamine

C11H16N4 — CID 107488480

IUPAC6-N-tert-butyl-1H-indazole-5,6-diamine
SMILESCC(C)(C)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H16N4/c1-11(2,3)14-10-5-9-7(4-8(10)12)6-13-15-9/h4-6,14H,12H2,1-3H3,(H,13,15)
InChIKeyCKIRXOYJTFVKJE-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.36
Rot. Bonds1

About 6-N-tert-butyl-1H-indazole-5,6-diamine

6-N-tert-butyl-1H-indazole-5,6-diamine (PubChem CID 107488480) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-N-tert-butyl-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-1H-indazole-5,6-diamine
PubChem CID107488480
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-N-tert-butyl-1H-indazole-5,6-diamine
SMILESCC(C)(C)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C11H16N4/c1-11(2,3)14-10-5-9-7(4-8(10)12)6-13-15-9/h4-6,14H,12H2,1-3H3,(H,13,15)
InChIKeyCKIRXOYJTFVKJE-UHFFFAOYSA-N
XLogP2.36
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-N-tert-butyl-1H-indazole-5,6-diamine 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 6-N-tert-butyl-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-tert-butyl-1H-indazole-5,6-diamine (CID 107488480) is 6-N-tert-butyl-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-tert-butyl-1H-indazole-5,6-diamine is CC(C)(C)Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-tert-butyl-1H-indazole-5,6-diamine?
The InChIKey is CKIRXOYJTFVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-11(2,3)14-10-5-9-7(4-8(10)12)6-13-15-9/h4-6,14H,12H2,1-3H3,(H,13,15).
What are the key properties of 6-N-tert-butyl-1H-indazole-5,6-diamine?
6-N-tert-butyl-1H-indazole-5,6-diamine has a molecular weight of 204.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-1H-indazole-5,6-diamine is sourced from PubChem (CID 107488480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).