cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C10H16N4O2 — CID 61310807

IUPACcyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OC2CCCCC2)n1
InChIInChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,13)
InChIKeyHPAPYLVKJHNCDJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.74
Rot. Bonds3

About cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61310807) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61310807
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namecyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OC2CCCCC2)n1
InChIInChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,13)
InChIKeyHPAPYLVKJHNCDJ-UHFFFAOYSA-N
XLogP0.74
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61310807) is cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OC2CCCCC2)n1.
What is the InChIKey of cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is HPAPYLVKJHNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,13).
What are the key properties of cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61310807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).