2-tert-butyl-7-chloroindazol-5-amine

C11H14ClN3 — CID 90309139

IUPAC2-tert-butyl-7-chloroindazol-5-amine
SMILESCC(C)(C)n1cc2cc(N)cc(Cl)c2n1
InChIInChI=1S/C11H14ClN3/c1-11(2,3)15-6-7-4-8(13)5-9(12)10(7)14-15/h4-6H,13H2,1-3H3
InChIKeyGXMSOFWIHCUGCW-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.03
Rot. Bonds

About 2-tert-butyl-7-chloroindazol-5-amine

2-tert-butyl-7-chloroindazol-5-amine (PubChem CID 90309139) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-tert-butyl-7-chloroindazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-7-chloroindazol-5-amine
PubChem CID90309139
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-tert-butyl-7-chloroindazol-5-amine
SMILESCC(C)(C)n1cc2cc(N)cc(Cl)c2n1
InChIInChI=1S/C11H14ClN3/c1-11(2,3)15-6-7-4-8(13)5-9(12)10(7)14-15/h4-6H,13H2,1-3H3
InChIKeyGXMSOFWIHCUGCW-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloroindazol-5-amine?
The IUPAC name of 2-tert-butyl-7-chloroindazol-5-amine (CID 90309139) is 2-tert-butyl-7-chloroindazol-5-amine.
What is the SMILES notation for 2-tert-butyl-7-chloroindazol-5-amine?
The canonical SMILES for 2-tert-butyl-7-chloroindazol-5-amine is CC(C)(C)n1cc2cc(N)cc(Cl)c2n1.
What is the InChIKey of 2-tert-butyl-7-chloroindazol-5-amine?
The InChIKey is GXMSOFWIHCUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-11(2,3)15-6-7-4-8(13)5-9(12)10(7)14-15/h4-6H,13H2,1-3H3.
What are the key properties of 2-tert-butyl-7-chloroindazol-5-amine?
2-tert-butyl-7-chloroindazol-5-amine has a molecular weight of 223.71 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloroindazol-5-amine is sourced from PubChem (CID 90309139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).