5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide

C20H22N4O2 — CID 166309209

IUPAC5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide
SMILESCOCCN(Cc1cccc2ccccc12)C(=O)c1n[nH]nc1C1CC1
InChIInChI=1S/C20H22N4O2/c1-26-12-11-24(20(25)19-18(15-9-10-15)21-23-22-19)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,21,22,23)
InChIKeyXSMGBFSOIHARMG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds7

About 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide

5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 166309209) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID166309209
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide
SMILESCOCCN(Cc1cccc2ccccc12)C(=O)c1n[nH]nc1C1CC1
InChIInChI=1S/C20H22N4O2/c1-26-12-11-24(20(25)19-18(15-9-10-15)21-23-22-19)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,21,22,23)
InChIKeyXSMGBFSOIHARMG-UHFFFAOYSA-N
XLogP3.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide (CID 166309209) is 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide is COCCN(Cc1cccc2ccccc12)C(=O)c1n[nH]nc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is XSMGBFSOIHARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-12-11-24(20(25)19-18(15-9-10-15)21-23-22-19)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15H,9-13H2,1H3,(H,21,22,23).
What are the key properties of 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide?
5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 166309209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).