2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide

C8H14N6O2 — CID 62054135

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H14N6O2/c1-2-10-8(16)11-7(15)5-14-4-6(3-9)12-13-14/h4H,2-3,5,9H2,1H3,(H2,10,11,15,16)
InChIKeyAVLAHJAPRXJTMV-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.42
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 62054135) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID62054135
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H14N6O2/c1-2-10-8(16)11-7(15)5-14-4-6(3-9)12-13-14/h4H,2-3,5,9H2,1H3,(H2,10,11,15,16)
InChIKeyAVLAHJAPRXJTMV-UHFFFAOYSA-N
XLogP-1.42
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)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-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
N-[2-[4-(aminomethyl)triazol-1-yl]acetyl]benzamide
CID 62056005
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62401323
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide (CID 62054135) is 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is AVLAHJAPRXJTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-2-10-8(16)11-7(15)5-14-4-6(3-9)12-13-14/h4H,2-3,5,9H2,1H3,(H2,10,11,15,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 226.24 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 62054135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).