2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide

C12H21N5O — CID 54901941

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
SMILESNc1ncn(CC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C12H21N5O/c13-12-14-9-17(16-12)8-11(18)15-10-6-4-2-1-3-5-7-10/h9-10H,1-8H2,(H2,13,16)(H,15,18)
InChIKeyLWWHTNNKTBFRAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide (PubChem CID 54901941) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
PubChem CID54901941
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
SMILESNc1ncn(CC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C12H21N5O/c13-12-14-9-17(16-12)8-11(18)15-10-6-4-2-1-3-5-7-10/h9-10H,1-8H2,(H2,13,16)(H,15,18)
InChIKeyLWWHTNNKTBFRAD-UHFFFAOYSA-N
XLogP1.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
CID 62403216
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79856073
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 54968497
4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345158
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-cyclopropyloxolan-3-yl)acetamide
CID 114118434
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylcyclohex-2-en-1-yl)acetamide
CID 166293233
cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61310807
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249481
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide (CID 54901941) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide is Nc1ncn(CC(=O)NC2CCCCCCC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide?
The InChIKey is LWWHTNNKTBFRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-12-14-9-17(16-12)8-11(18)15-10-6-4-2-1-3-5-7-10/h9-10H,1-8H2,(H2,13,16)(H,15,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide is sourced from PubChem (CID 54901941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).