N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine

C10H11N5O2 — CID 17057745

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine
SMILESc1cc2c(cc1CNc1nn[nH]n1)OCCO2
InChIInChI=1S/C10H11N5O2/c1-2-8-9(17-4-3-16-8)5-7(1)6-11-10-12-14-15-13-10/h1-2,5H,3-4,6H2,(H2,11,12,13,14,15)
InChIKeyXOKHJCTWXIPXNK-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.58
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine (PubChem CID 17057745) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine
PubChem CID17057745
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine
SMILESc1cc2c(cc1CNc1nn[nH]n1)OCCO2
InChIInChI=1S/C10H11N5O2/c1-2-8-9(17-4-3-16-8)5-7(1)6-11-10-12-14-15-13-10/h1-2,5H,3-4,6H2,(H2,11,12,13,14,15)
InChIKeyXOKHJCTWXIPXNK-UHFFFAOYSA-N
XLogP0.58
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547184
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
CID 28975647
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)benzene-1,2-diamine
CID 115124436
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719777
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylaniline
CID 63448939
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
CID 28614019
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylbutan-1-ol
CID 64549119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine (CID 17057745) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine is c1cc2c(cc1CNc1nn[nH]n1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine?
The InChIKey is XOKHJCTWXIPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-8-9(17-4-3-16-8)5-7(1)6-11-10-12-14-15-13-10/h1-2,5H,3-4,6H2,(H2,11,12,13,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine has a molecular weight of 233.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 17057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).