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

C11H14ClN3S — CID 21196780

IUPAC2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ncc2c1-c1ccsc1CC2
InChIInChI=1S/C11H13N3S.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
InChIKeyXDIVSRQQIWCNFB-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.09
Rot. Bonds2

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

2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride (PubChem CID 21196780) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride
PubChem CID21196780
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ncc2c1-c1ccsc1CC2
InChIInChI=1S/C11H13N3S.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
InChIKeyXDIVSRQQIWCNFB-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride (CID 21196780) is 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1ncc2c1-c1ccsc1CC2.
What is the InChIKey of 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
The InChIKey is XDIVSRQQIWCNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S.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-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride?
2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 21196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).