[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine

C13H16N4O — CID 65446119

IUPAC[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C13H16N4O/c14-8-12-9-17(16-15-12)5-3-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,9H,3-6,8,14H2
InChIKeyUZDZGFWWRSXEJV-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.91
Rot. Bonds4

About [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 65446119) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
PubChem CID65446119
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C13H16N4O/c14-8-12-9-17(16-15-12)5-3-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,9H,3-6,8,14H2
InChIKeyUZDZGFWWRSXEJV-UHFFFAOYSA-N
XLogP0.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
CID 146136216
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine
CID 114419969
4-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazole
CID 121208805
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-propyltriazol-4-amine
CID 79541889
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine (CID 65446119) is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine is NCc1cn(CCc2ccc3c(c2)CCO3)nn1.
What is the InChIKey of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is UZDZGFWWRSXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-12-9-17(16-15-12)5-3-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,9H,3-6,8,14H2.
What are the key properties of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 244.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 65446119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).