5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine

C11H15N3O2 — CID 21409226

IUPAC5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine
SMILESCOc1cc2[nH]nc(N(C)C)c2cc1OC
InChIInChI=1S/C11H15N3O2/c1-14(2)11-7-5-9(15-3)10(16-4)6-8(7)12-13-11/h5-6H,1-4H3,(H,12,13)
InChIKeyUTXGYTMBQPPYJA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

About 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine

5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine (PubChem CID 21409226) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine
PubChem CID21409226
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine
SMILESCOc1cc2[nH]nc(N(C)C)c2cc1OC
InChIInChI=1S/C11H15N3O2/c1-14(2)11-7-5-9(15-3)10(16-4)6-8(7)12-13-11/h5-6H,1-4H3,(H,12,13)
InChIKeyUTXGYTMBQPPYJA-UHFFFAOYSA-N
XLogP1.65
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine?
The IUPAC name of 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine (CID 21409226) is 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine.
What is the SMILES notation for 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine?
The canonical SMILES for 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine is COc1cc2[nH]nc(N(C)C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine?
The InChIKey is UTXGYTMBQPPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(2)11-7-5-9(15-3)10(16-4)6-8(7)12-13-11/h5-6H,1-4H3,(H,12,13).
What are the key properties of 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine?
5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N,N-dimethyl-1H-indazol-3-amine is sourced from PubChem (CID 21409226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).