N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C12H16N4O — CID 53015703

IUPACN-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(CC#N)C(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C12H16N4O/c1-15(7-6-13)12(17)9-16-8-10-4-2-3-5-11(10)14-16/h8H,2-5,7,9H2,1H3
InChIKeyRXOJFOZGDIHKJW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.74
Rot. Bonds3

About N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 53015703) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID53015703
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(CC#N)C(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C12H16N4O/c1-15(7-6-13)12(17)9-16-8-10-4-2-3-5-11(10)14-16/h8H,2-5,7,9H2,1H3
InChIKeyRXOJFOZGDIHKJW-UHFFFAOYSA-N
XLogP0.74
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 53015703) is N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CN(CC#N)C(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is RXOJFOZGDIHKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15(7-6-13)12(17)9-16-8-10-4-2-3-5-11(10)14-16/h8H,2-5,7,9H2,1H3.
What are the key properties of N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 53015703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).