6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride

C12H18ClN3O — CID 44523369

IUPAC6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride
SMILESCC(C)(C)COc1ccc2c(N)n[nH]c2c1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-12(2,3)7-16-8-4-5-9-10(6-8)14-15-11(9)13;/h4-6H,7H2,1-3H3,(H3,13,14,15);1H
InChIKeyHCZONZXKSFOXIP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.99
Rot. Bonds2

About 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride

6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride (PubChem CID 44523369) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride
PubChem CID44523369
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride
SMILESCC(C)(C)COc1ccc2c(N)n[nH]c2c1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-12(2,3)7-16-8-4-5-9-10(6-8)14-15-11(9)13;/h4-6H,7H2,1-3H3,(H3,13,14,15);1H
InChIKeyHCZONZXKSFOXIP-UHFFFAOYSA-N
XLogP2.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride?
The IUPAC name of 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride (CID 44523369) is 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride is CC(C)(C)COc1ccc2c(N)n[nH]c2c1.Cl.
What is the InChIKey of 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride?
The InChIKey is HCZONZXKSFOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-12(2,3)7-16-8-4-5-9-10(6-8)14-15-11(9)13;/h4-6H,7H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride?
6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropoxy)-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 44523369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).