3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine

C16H17N3O3 — CID 39219698

IUPAC3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-20-12-8-7-9(15(21-2)16(12)22-3)14-13-10(17)5-4-6-11(13)18-19-14/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyDCLPSJHWBXWKHU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.84
Rot. Bonds4

About 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine

3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine (PubChem CID 39219698) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
PubChem CID39219698
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine
SMILESCOc1ccc(-c2n[nH]c3cccc(N)c23)c(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-20-12-8-7-9(15(21-2)16(12)22-3)14-13-10(17)5-4-6-11(13)18-19-14/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyDCLPSJHWBXWKHU-UHFFFAOYSA-N
XLogP2.84
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
CID 39220575
3-(4-methoxy-2-nitrophenyl)-1H-indazol-4-amine
CID 39219484
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazol-4-amine
CID 39220118
3-(2,5-dichlorophenyl)-1H-indazol-4-amine
CID 39219303
2,3,4-trimethoxyaniline
CID 15455622
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaen-6-amine
CID 10149166
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
methyl 5-fluoro-4-(4-fluoro-1H-indazol-3-yl)-2-methoxybenzoate
CID 90040824
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine?
The IUPAC name of 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine (CID 39219698) is 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine.
What is the SMILES notation for 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine?
The canonical SMILES for 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine is COc1ccc(-c2n[nH]c3cccc(N)c23)c(OC)c1OC.
What is the InChIKey of 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine?
The InChIKey is DCLPSJHWBXWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-20-12-8-7-9(15(21-2)16(12)22-3)14-13-10(17)5-4-6-11(13)18-19-14/h4-8H,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine?
3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine has a molecular weight of 299.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethoxyphenyl)-1H-indazol-4-amine is sourced from PubChem (CID 39219698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).