2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide

C14H23N5O2 — CID 102900109

IUPAC2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC2CCC3(CCCC3)O2)nn1
InChIInChI=1S/C14H23N5O2/c15-7-13(20)16-8-11-9-19(18-17-11)10-12-3-6-14(21-12)4-1-2-5-14/h9,12H,1-8,10,15H2,(H,16,20)
InChIKeyFXLGTXAHOHEBMV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide (PubChem CID 102900109) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
PubChem CID102900109
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(CC2CCC3(CCCC3)O2)nn1
InChIInChI=1S/C14H23N5O2/c15-7-13(20)16-8-11-9-19(18-17-11)10-12-3-6-14(21-12)4-1-2-5-14/h9,12H,1-8,10,15H2,(H,16,20)
InChIKeyFXLGTXAHOHEBMV-UHFFFAOYSA-N
XLogP0.34
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloroethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole
CID 102900168
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole-4-carboxylate
CID 102846929
2,2,2-trifluoro-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]ethanone
CID 102900592
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898692
2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
CID 114778327
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 116523471
2-amino-N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778671
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazole-4-carboxylic acid
CID 102898704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide (CID 102900109) is 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(CC2CCC3(CCCC3)O2)nn1.
What is the InChIKey of 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is FXLGTXAHOHEBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-7-13(20)16-8-11-9-19(18-17-11)10-12-3-6-14(21-12)4-1-2-5-14/h9,12H,1-8,10,15H2,(H,16,20).
What are the key properties of 2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.34, 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-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 102900109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).