N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide

C6H11N5O — CID 60965326

IUPACN-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H11N5O/c7-1-2-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3,7H2,(H,9,12)
InChIKeyYUEMFSLUTNMDEV-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.65
Rot. Bonds4

About N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 60965326) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID60965326
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNCCNC(=O)Cn1cncn1
InChIInChI=1S/C6H11N5O/c7-1-2-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3,7H2,(H,9,12)
InChIKeyYUEMFSLUTNMDEV-UHFFFAOYSA-N
XLogP-1.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-2-(1,2,4-triazol-1-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-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl nitrate
CID 3644089
N-cyclopropyl-2-(tetrazol-1-yl)acetamide
CID 4134847
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
2-(4-ethylpiperazin-1-yl)-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91788532
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 60965326) is N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide is NCCNC(=O)Cn1cncn1.
What is the InChIKey of N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YUEMFSLUTNMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-1-2-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3,7H2,(H,9,12).
What are the key properties of N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 169.19 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 60965326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).