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

C13H23N5O — CID 66213840

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCNCc1cn(CC(=O)NC2CCCCC2C)nn1
InChIInChI=1S/C13H23N5O/c1-10-5-3-4-6-12(10)15-13(19)9-18-8-11(7-14-2)16-17-18/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyPTWVCPXCFDNGRD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.69
Rot. Bonds5

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

2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 66213840) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID66213840
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCNCc1cn(CC(=O)NC2CCCCC2C)nn1
InChIInChI=1S/C13H23N5O/c1-10-5-3-4-6-12(10)15-13(19)9-18-8-11(7-14-2)16-17-18/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyPTWVCPXCFDNGRD-UHFFFAOYSA-N
XLogP0.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66194049
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-(4-bromo-3-nitropyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
CID 47061724
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 66213840) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide is CNCc1cn(CC(=O)NC2CCCCC2C)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is PTWVCPXCFDNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-5-3-4-6-12(10)15-13(19)9-18-8-11(7-14-2)16-17-18/h8,10,12,14H,3-7,9H2,1-2H3,(H,15,19).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 66213840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).