N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide

C14H18N6O2 — CID 112520099

IUPACN-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H18N6O2/c1-19(2)14(22)17-12-9-16-20(18-12)10-13(21)15-8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3,(H,15,21)(H,17,18,22)
InChIKeyCAHKAZKOTHODNQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.69
Rot. Bonds5

About N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide

N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (PubChem CID 112520099) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
PubChem CID112520099
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H18N6O2/c1-19(2)14(22)17-12-9-16-20(18-12)10-13(21)15-8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3,(H,15,21)(H,17,18,22)
InChIKeyCAHKAZKOTHODNQ-UHFFFAOYSA-N
XLogP0.69
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide
CID 112526816
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
N-benzyl-2-(diethylamino)acetamide
CID 969777
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
methyl N-[2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]triazol-4-yl]carbamate
CID 112530230

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (CID 112520099) is N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is CN(C)C(=O)Nc1cnn(CC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The InChIKey is CAHKAZKOTHODNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-19(2)14(22)17-12-9-16-20(18-12)10-13(21)15-8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3,(H,15,21)(H,17,18,22).
What are the key properties of N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide has a molecular weight of 302.34 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 N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is sourced from PubChem (CID 112520099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).