6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

C17H19N3O4 — CID 156696053

IUPAC6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)n[nH]c2c1
InChIInChI=1S/C17H19N3O4/c1-21-11-5-6-12-13(9-11)19-20-17(12)18-10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyMFDHCUUHJXOURA-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.34
Rot. Bonds6

About 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine

6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (PubChem CID 156696053) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
PubChem CID156696053
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)n[nH]c2c1
InChIInChI=1S/C17H19N3O4/c1-21-11-5-6-12-13(9-11)19-20-17(12)18-10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyMFDHCUUHJXOURA-UHFFFAOYSA-N
XLogP3.34
TPSA77.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (CID 156696053) is 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)n[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is MFDHCUUHJXOURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-21-11-5-6-12-13(9-11)19-20-17(12)18-10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,1-4H3,(H2,18,19,20).
What are the key properties of 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 329.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 156696053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).