2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide

C10H17N5O2 — CID 114778318

IUPAC2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(C2CCOCC2)nn1
InChIInChI=1S/C10H17N5O2/c11-5-10(16)12-6-8-7-15(14-13-8)9-1-3-17-4-2-9/h7,9H,1-6,11H2,(H,12,16)
InChIKeyQAFKSABZVRSKGQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.80
Rot. Bonds4

About 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide (PubChem CID 114778318) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
PubChem CID114778318
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(C2CCOCC2)nn1
InChIInChI=1S/C10H17N5O2/c11-5-10(16)12-6-8-7-15(14-13-8)9-1-3-17-4-2-9/h7,9H,1-6,11H2,(H,12,16)
InChIKeyQAFKSABZVRSKGQ-UHFFFAOYSA-N
XLogP-0.80
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-(4-ethylcyclohexyl)triazol-4-yl]methyl]acetamide
CID 114778694
2-amino-N-[[1-(5-oxaspiro[3.5]nonan-8-yl)triazol-4-yl]methyl]acetamide
CID 114778703
2-chloro-N-[(1-cyclopentyltriazol-4-yl)methyl]acetamide
CID 166430643
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
N-[2-[(1-cyclobutyltriazol-4-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 126829428
[1-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]triazol-4-yl]methylurea
CID 29254255
2-amino-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazol-4-yl]methyl]acetamide
CID 102900109
2-amino-N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778671
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-(3-hydroxybutan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778510

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide (CID 114778318) is 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(C2CCOCC2)nn1.
What is the InChIKey of 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide?
The InChIKey is QAFKSABZVRSKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-5-10(16)12-6-8-7-15(14-13-8)9-1-3-17-4-2-9/h7,9H,1-6,11H2,(H,12,16).
What are the key properties of 2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(oxan-4-yl)triazol-4-yl]methyl]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.80, 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-(oxan-4-yl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).