1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide

C10H17N5O2 — CID 79316532

IUPAC1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-14(3-4-17-2)10(16)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyCLLTXDAGKDECFE-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.86
Rot. Bonds5

About 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide (PubChem CID 79316532) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
PubChem CID79316532
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-14(3-4-17-2)10(16)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyCLLTXDAGKDECFE-UHFFFAOYSA-N
XLogP-0.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide (CID 79316532) is 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide is COCCN(C)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is CLLTXDAGKDECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(3-4-17-2)10(16)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 79316532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).