3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride

C14H14ClN3O — CID 18447120

IUPAC3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride
SMILESCc1c(Oc2cccc(N)c2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C14H13N3O.ClH/c1-9-12-8-16-17-13(12)5-6-14(9)18-11-4-2-3-10(15)7-11;/h2-8H,15H2,1H3,(H,16,17);1H
InChIKeyJYJNACUHLCHCJS-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.67
Rot. Bonds2

About 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride

3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride (PubChem CID 18447120) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride.

Molecular Properties

Compound Name3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride
PubChem CID18447120
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride
SMILESCc1c(Oc2cccc(N)c2)ccc2[nH]ncc12.Cl
InChIInChI=1S/C14H13N3O.ClH/c1-9-12-8-16-17-13(12)5-6-14(9)18-11-4-2-3-10(15)7-11;/h2-8H,15H2,1H3,(H,16,17);1H
InChIKeyJYJNACUHLCHCJS-UHFFFAOYSA-N
XLogP3.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.67
H-Bond Donors ≤ 52
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 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride?
The IUPAC name of 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride (CID 18447120) is 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride.
What is the SMILES notation for 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride?
The canonical SMILES for 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride is Cc1c(Oc2cccc(N)c2)ccc2[nH]ncc12.Cl.
What is the InChIKey of 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride?
The InChIKey is JYJNACUHLCHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.ClH/c1-9-12-8-16-17-13(12)5-6-14(9)18-11-4-2-3-10(15)7-11;/h2-8H,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride?
3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1H-indazol-5-yl)oxy]aniline;hydrochloride is sourced from PubChem (CID 18447120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).