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

C17H19N3O3 — CID 156696051

IUPAC6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-10-5-6-12-13(7-10)19-20-17(12)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyWXYDIUWYBVAKRX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.64
Rot. Bonds5

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

6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (PubChem CID 156696051) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
PubChem CID156696051
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C17H19N3O3/c1-10-5-6-12-13(7-10)19-20-17(12)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20)
InChIKeyWXYDIUWYBVAKRX-UHFFFAOYSA-N
XLogP3.64
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine (CID 156696051) is 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is COc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1OC.
What is the InChIKey of 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is WXYDIUWYBVAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-5-6-12-13(7-10)19-20-17(12)18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9H,1-4H3,(H2,18,19,20).
What are the key properties of 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine?
6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 313.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 156696051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).