1-(7-methoxy-2H-indazol-3-yl)ethanamine

C10H13N3O — CID 112714941

IUPAC1-(7-methoxy-2H-indazol-3-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)[nH]nc12
InChIInChI=1S/C10H13N3O/c1-6(11)9-7-4-3-5-8(14-2)10(7)13-12-9/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyMJEWGZWDUAXBMM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.59
Rot. Bonds2

About 1-(7-methoxy-2H-indazol-3-yl)ethanamine

1-(7-methoxy-2H-indazol-3-yl)ethanamine (PubChem CID 112714941) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(7-methoxy-2H-indazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(7-methoxy-2H-indazol-3-yl)ethanamine
PubChem CID112714941
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(7-methoxy-2H-indazol-3-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)[nH]nc12
InChIInChI=1S/C10H13N3O/c1-6(11)9-7-4-3-5-8(14-2)10(7)13-12-9/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyMJEWGZWDUAXBMM-UHFFFAOYSA-N
XLogP1.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2H-indazol-3-yl)ethanamine?
The IUPAC name of 1-(7-methoxy-2H-indazol-3-yl)ethanamine (CID 112714941) is 1-(7-methoxy-2H-indazol-3-yl)ethanamine.
What is the SMILES notation for 1-(7-methoxy-2H-indazol-3-yl)ethanamine?
The canonical SMILES for 1-(7-methoxy-2H-indazol-3-yl)ethanamine is COc1cccc2c(C(C)N)[nH]nc12.
What is the InChIKey of 1-(7-methoxy-2H-indazol-3-yl)ethanamine?
The InChIKey is MJEWGZWDUAXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(11)9-7-4-3-5-8(14-2)10(7)13-12-9/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 1-(7-methoxy-2H-indazol-3-yl)ethanamine?
1-(7-methoxy-2H-indazol-3-yl)ethanamine has a molecular weight of 191.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2H-indazol-3-yl)ethanamine is sourced from PubChem (CID 112714941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).