6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

C11H13N5O2 — CID 107041423

IUPAC6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCn1nnc(COc2ccc3c(c2)OCC3N)n1
InChIInChI=1S/C11H13N5O2/c1-16-14-11(13-15-16)6-17-7-2-3-8-9(12)5-18-10(8)4-7/h2-4,9H,5-6,12H2,1H3
InChIKeyNLIAITCMOWZDOP-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.18
Rot. Bonds3

About 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107041423) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107041423
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCn1nnc(COc2ccc3c(c2)OCC3N)n1
InChIInChI=1S/C11H13N5O2/c1-16-14-11(13-15-16)6-17-7-2-3-8-9(12)5-18-10(8)4-7/h2-4,9H,5-6,12H2,1H3
InChIKeyNLIAITCMOWZDOP-UHFFFAOYSA-N
XLogP0.18
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 107041423) is 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is Cn1nnc(COc2ccc3c(c2)OCC3N)n1.
What is the InChIKey of 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NLIAITCMOWZDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-14-11(13-15-16)6-17-7-2-3-8-9(12)5-18-10(8)4-7/h2-4,9H,5-6,12H2,1H3.
What are the key properties of 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107041423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).