ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride

C7H13ClN4O2 — CID 146155006

IUPACethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(CN)nn1C.Cl
InChIInChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)6-9-5(4-8)10-11(6)2;/h3-4,8H2,1-2H3;1H
InChIKeyZZFLGBPASFNKQX-UHFFFAOYSA-N
MW220.66 g/mol
LogP-0.13
Rot. Bonds3

About ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride

ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride (PubChem CID 146155006) has the molecular formula C7H13ClN4O2 and a molecular weight of 220.66 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride
PubChem CID146155006
Molecular FormulaC7H13ClN4O2
Molecular Weight220.66 g/mol
Exact Mass220.07
IUPAC Nameethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc(CN)nn1C.Cl
InChIInChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)6-9-5(4-8)10-11(6)2;/h3-4,8H2,1-2H3;1H
InChIKeyZZFLGBPASFNKQX-UHFFFAOYSA-N
XLogP-0.13
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride 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

ethyl 5-(hydroxymethyl)-2-methyl-1,2,4-triazole-3-carboxylate
CID 155820989
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
ethyl 4,5-dibromo-1-methylimidazole-2-carboxylate
CID 130115155
ethyl 5-amino-4-fluoro-1-methylimidazole-2-carboxylate
CID 71743160
ethyl 4-amino-5-fluoro-1-methylimidazole-2-carboxylate
CID 71743159
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride (CID 146155006) is ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride is CCOC(=O)c1nc(CN)nn1C.Cl.
What is the InChIKey of ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride?
The InChIKey is ZZFLGBPASFNKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2.ClH/c1-3-13-7(12)6-9-5(4-8)10-11(6)2;/h3-4,8H2,1-2H3;1H.
What are the key properties of ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride?
ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 146155006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).