N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C11H16N4O2 — CID 128897793

IUPACN-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CC3CC3C2)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-6-12-15(11(14)17)5-10(16)13-9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,13,16)
InChIKeyLKBMORYQOZFBFH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.50
Rot. Bonds3

About N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 128897793) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID128897793
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NC2CC3CC3C2)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-6-12-15(11(14)17)5-10(16)13-9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,13,16)
InChIKeyLKBMORYQOZFBFH-UHFFFAOYSA-N
XLogP-0.50
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 128897793) is N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NC2CC3CC3C2)c1=O.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is LKBMORYQOZFBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-6-12-15(11(14)17)5-10(16)13-9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,13,16).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 128897793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).