1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide

C13H14N4O2 — CID 146136216

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C13H14N4O2/c14-13(18)11-8-17(16-15-11)5-3-9-1-2-12-10(7-9)4-6-19-12/h1-2,7-8H,3-6H2,(H2,14,18)
InChIKeySFOCQIIFIGLFDY-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.55
Rot. Bonds4

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

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide (PubChem CID 146136216) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
PubChem CID146136216
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(CCc2ccc3c(c2)CCO3)nn1
InChIInChI=1S/C13H14N4O2/c14-13(18)11-8-17(16-15-11)5-3-9-1-2-12-10(7-9)4-6-19-12/h1-2,7-8H,3-6H2,(H2,14,18)
InChIKeySFOCQIIFIGLFDY-UHFFFAOYSA-N
XLogP0.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
CID 65446119
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]ethanamine
CID 114419969
ethyl 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]tetrazole-5-carboxylate
CID 79309313
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-(hydroxymethyl)pyridin-2-one
CID 167822879
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide (CID 146136216) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide is NC(=O)c1cn(CCc2ccc3c(c2)CCO3)nn1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide?
The InChIKey is SFOCQIIFIGLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-13(18)11-8-17(16-15-11)5-3-9-1-2-12-10(7-9)4-6-19-12/h1-2,7-8H,3-6H2,(H2,14,18).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.55, 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]triazole-4-carboxamide is sourced from PubChem (CID 146136216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).