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

C12H15N3O2 — CID 11564897

IUPAC1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
SMILESCC(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
InChIKeyCOFLXOIELGUPPR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.15
Rot. Bonds2

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

1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine (PubChem CID 11564897) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
PubChem CID11564897
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine
SMILESCC(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
InChIKeyCOFLXOIELGUPPR-UHFFFAOYSA-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 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The IUPAC name of 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine (CID 11564897) is 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine is CC(N)Cn1ncc2ccc3c(c21)OCCO3.
What is the InChIKey of 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
The InChIKey is COFLXOIELGUPPR-UHFFFAOYSA-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.
What are the key properties of 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine?
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 1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 11564897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).