2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide

C14H17N5O2 — CID 114778327

IUPAC2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC2COc3ccccc32)nn1
InChIInChI=1S/C14H17N5O2/c15-5-14(20)16-6-11-8-19(18-17-11)7-10-9-21-13-4-2-1-3-12(10)13/h1-4,8,10H,5-7,9,15H2,(H,16,20)
InChIKeySPIJZSPIEUJMCI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.03
Rot. Bonds5

About 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide (PubChem CID 114778327) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
PubChem CID114778327
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC2COc3ccccc32)nn1
InChIInChI=1S/C14H17N5O2/c15-5-14(20)16-6-11-8-19(18-17-11)7-10-9-21-13-4-2-1-3-12(10)13/h1-4,8,10H,5-7,9,15H2,(H,16,20)
InChIKeySPIJZSPIEUJMCI-UHFFFAOYSA-N
XLogP0.03
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-amino-N-[[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]methyl]acetamide
CID 114778434
2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
CID 102900109
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 79229611
ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
CID 107344933
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 104770992
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide (CID 114778327) is 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CC2COc3ccccc32)nn1.
What is the InChIKey of 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is SPIJZSPIEUJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-5-14(20)16-6-11-8-19(18-17-11)7-10-9-21-13-4-2-1-3-12(10)13/h1-4,8,10H,5-7,9,15H2,(H,16,20).
What are the key properties of 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).