2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride

C11H14ClN3O — CID 21196726

IUPAC2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ncc2c1-c1ccoc1CC2
InChIInChI=1S/C11H13N3O.ClH/c12-4-5-14-11-8(7-13-14)1-2-10-9(11)3-6-15-10;/h3,6-7H,1-2,4-5,12H2;1H
InChIKeyXNMUGGFVMLWQDI-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.62
Rot. Bonds2

About 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride

2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride (PubChem CID 21196726) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
PubChem CID21196726
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ncc2c1-c1ccoc1CC2
InChIInChI=1S/C11H13N3O.ClH/c12-4-5-14-11-8(7-13-14)1-2-10-9(11)3-6-15-10;/h3,6-7H,1-2,4-5,12H2;1H
InChIKeyXNMUGGFVMLWQDI-UHFFFAOYSA-N
XLogP1.62
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride (CID 21196726) is 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1ncc2c1-c1ccoc1CC2.
What is the InChIKey of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The InChIKey is XNMUGGFVMLWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c12-4-5-14-11-8(7-13-14)1-2-10-9(11)3-6-15-10;/h3,6-7H,1-2,4-5,12H2;1H.
What are the key properties of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 21196726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).