(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine

C12H15N3O2 — CID 11528768

IUPAC(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1ncc2ccc3c(c21)OCCO3
InChIInChI=1S/C12H15N3O2/c1-8(13)7-15-11-9(6-14-15)2-3-10-12(11)17-5-4-16-10/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1
InChIKeyCOFLXOIELGUPPR-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.15
Rot. Bonds2

About (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine

(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine (PubChem CID 11528768) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
PubChem CID11528768
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1ncc2ccc3c(c21)OCCO3
InChIInChI=1S/C12H15N3O2/c1-8(13)7-15-11-9(6-14-15)2-3-10-12(11)17-5-4-16-10/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1
InChIKeyCOFLXOIELGUPPR-MRVPVSSYSA-N
XLogP1.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine (CID 11528768) is (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine is C[C@@H](N)Cn1ncc2ccc3c(c21)OCCO3.
What is the InChIKey of (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The InChIKey is COFLXOIELGUPPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13)7-15-11-9(6-14-15)2-3-10-12(11)17-5-4-16-10/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 11528768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).