1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

C18H25N5O3 — CID 23610591

IUPAC1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C18H25N5O3/c1-3-26-16-6-4-15(5-7-16)23-14(2)17(20-21-23)18(24)19-8-9-22-10-12-25-13-11-22/h4-7H,3,8-13H2,1-2H3,(H,19,24)
InChIKeyFZDPXMKFZUVXCL-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.04
Rot. Bonds7

About 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (PubChem CID 23610591) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
PubChem CID23610591
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C18H25N5O3/c1-3-26-16-6-4-15(5-7-16)23-14(2)17(20-21-23)18(24)19-8-9-22-10-12-25-13-11-22/h4-7H,3,8-13H2,1-2H3,(H,19,24)
InChIKeyFZDPXMKFZUVXCL-UHFFFAOYSA-N
XLogP1.04
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (CID 23610591) is 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is CCOc1ccc(-n2nnc(C(=O)NCCN3CCOCC3)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is FZDPXMKFZUVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-26-16-6-4-15(5-7-16)23-14(2)17(20-21-23)18(24)19-8-9-22-10-12-25-13-11-22/h4-7H,3,8-13H2,1-2H3,(H,19,24).
What are the key properties of 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 23610591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).