N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine

C16H15N3O2 — CID 43730809

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine
SMILESc1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCCO2
InChIInChI=1S/C16H15N3O2/c1-3-11-10-18-19-15(11)13(5-1)17-9-12-4-2-6-14-16(12)21-8-7-20-14/h1-6,10,17H,7-9H2,(H,18,19)
InChIKeyZBCKUBLAXITOJC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.95
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine (PubChem CID 43730809) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine
PubChem CID43730809
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine
SMILESc1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCCO2
InChIInChI=1S/C16H15N3O2/c1-3-11-10-18-19-15(11)13(5-1)17-9-12-4-2-6-14-16(12)21-8-7-20-14/h1-6,10,17H,7-9H2,(H,18,19)
InChIKeyZBCKUBLAXITOJC-UHFFFAOYSA-N
XLogP2.95
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine (CID 43730809) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine is c1cc(CNc2cccc3cn[nH]c23)c2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine?
The InChIKey is ZBCKUBLAXITOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-11-10-18-19-15(11)13(5-1)17-9-12-4-2-6-14-16(12)21-8-7-20-14/h1-6,10,17H,7-9H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine has a molecular weight of 281.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine is sourced from PubChem (CID 43730809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).