N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide

C12H16N4O3 — CID 73167974

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1cn(C)nn1
InChIInChI=1S/C12H16N4O3/c1-15-8-11(13-14-15)12(17)16(4-6-18-2)7-10-3-5-19-9-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyPWIINDMXGXIWRF-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.70
Rot. Bonds6

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide (PubChem CID 73167974) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide
PubChem CID73167974
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1cn(C)nn1
InChIInChI=1S/C12H16N4O3/c1-15-8-11(13-14-15)12(17)16(4-6-18-2)7-10-3-5-19-9-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyPWIINDMXGXIWRF-UHFFFAOYSA-N
XLogP0.70
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-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 N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide (CID 73167974) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide is COCCN(Cc1ccoc1)C(=O)c1cn(C)nn1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide?
The InChIKey is PWIINDMXGXIWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15-8-11(13-14-15)12(17)16(4-6-18-2)7-10-3-5-19-9-10/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 73167974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).