2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C15H27N5O — CID 63997330

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C15H27N5O/c1-11-5-7-12(8-6-11)19(4)14(21)10-20-9-13(17-18-20)15(2,3)16/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyNSYYKLFVYGBNCA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.51
Rot. Bonds4

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 63997330) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID63997330
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)Cn2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C15H27N5O/c1-11-5-7-12(8-6-11)19(4)14(21)10-20-9-13(17-18-20)15(2,3)16/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyNSYYKLFVYGBNCA-UHFFFAOYSA-N
XLogP1.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 63997330) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)Cn2cc(C(C)(C)N)nn2)CC1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is NSYYKLFVYGBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-5-7-12(8-6-11)19(4)14(21)10-20-9-13(17-18-20)15(2,3)16/h9,11-12H,5-8,10,16H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 63997330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).