N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine

C13H17N5O2 — CID 71978183

IUPACN-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESCCCn1nnnc1CNc1cccc2c1OCCO2
InChIInChI=1S/C13H17N5O2/c1-2-6-18-12(15-16-17-18)9-14-10-4-3-5-11-13(10)20-8-7-19-11/h3-5,14H,2,6-9H2,1H3
InChIKeyRMYFLZZBGWBJLX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.47
Rot. Bonds5

About N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine

N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine (PubChem CID 71978183) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine.

Molecular Properties

Compound NameN-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
PubChem CID71978183
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESCCCn1nnnc1CNc1cccc2c1OCCO2
InChIInChI=1S/C13H17N5O2/c1-2-6-18-12(15-16-17-18)9-14-10-4-3-5-11-13(10)20-8-7-19-11/h3-5,14H,2,6-9H2,1H3
InChIKeyRMYFLZZBGWBJLX-UHFFFAOYSA-N
XLogP1.47
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The IUPAC name of N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine (CID 71978183) is N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine.
What is the SMILES notation for N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The canonical SMILES for N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine is CCCn1nnnc1CNc1cccc2c1OCCO2.
What is the InChIKey of N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The InChIKey is RMYFLZZBGWBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-6-18-12(15-16-17-18)9-14-10-4-3-5-11-13(10)20-8-7-19-11/h3-5,14H,2,6-9H2,1H3.
What are the key properties of N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine has a molecular weight of 275.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propyltetrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine is sourced from PubChem (CID 71978183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).