2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide

C13H21N5O2 — CID 114778703

IUPAC2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C13H21N5O2/c14-7-12(19)15-8-10-9-18(17-16-10)11-2-5-20-13(6-11)3-1-4-13/h9,11H,1-8,14H2,(H,15,19)
InChIKeyVYFQWEPEDXPVRU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide (PubChem CID 114778703) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
PubChem CID114778703
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C13H21N5O2/c14-7-12(19)15-8-10-9-18(17-16-10)11-2-5-20-13(6-11)3-1-4-13/h9,11H,1-8,14H2,(H,15,19)
InChIKeyVYFQWEPEDXPVRU-UHFFFAOYSA-N
XLogP0.13
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]methyl]ethanamine
CID 79909835
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
CID 114778318
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]ethanamine
CID 79909032
N-[[1-(1-oxaspiro[5.5]undecan-4-yl)triazol-4-yl]methyl]propan-1-amine
CID 79909028
2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propanoic acid
CID 107460768
1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylic acid
CID 79919425
3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)triazol-4-yl]propan-1-amine
CID 106220792
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]acetic acid
CID 107461399
2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
CID 102900109
2-[1-(6-oxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-2-amine
CID 79919786
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)triazol-4-yl]propan-1-amine
CID 106220794

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide (CID 114778703) is 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(C2CCOC3(CCC3)C2)nn1.
What is the InChIKey of 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide?
The InChIKey is VYFQWEPEDXPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-7-12(19)15-8-10-9-18(17-16-10)11-2-5-20-13(6-11)3-1-4-13/h9,11H,1-8,14H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).