N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine

C15H13N3O3 — CID 162649168

IUPACN-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2c(Nc3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C15H13N3O3/c1-19-10-3-4-11-12(7-10)17-18-15(11)16-9-2-5-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H2,16,17,18)
InChIKeySYISQLNYVHAUKV-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.04
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine

N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine (PubChem CID 162649168) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine
PubChem CID162649168
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2c(Nc3ccc4c(c3)OCO4)n[nH]c2c1
InChIInChI=1S/C15H13N3O3/c1-19-10-3-4-11-12(7-10)17-18-15(11)16-9-2-5-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H2,16,17,18)
InChIKeySYISQLNYVHAUKV-UHFFFAOYSA-N
XLogP3.04
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine (CID 162649168) is N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine is COc1ccc2c(Nc3ccc4c(c3)OCO4)n[nH]c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine?
The InChIKey is SYISQLNYVHAUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-19-10-3-4-11-12(7-10)17-18-15(11)16-9-2-5-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H2,16,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine?
N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine has a molecular weight of 283.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 162649168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).