5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide

C17H23N5O2 — CID 42692587

IUPAC5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCCN2CCOCC2)nc1C
InChIInChI=1S/C17H23N5O2/c1-13-5-3-4-6-15(13)22-14(2)19-16(20-22)17(23)18-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,18,23)
InChIKeyBHHMUAUJNJHBJF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.95
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide

5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692587) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692587
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NCCN2CCOCC2)nc1C
InChIInChI=1S/C17H23N5O2/c1-13-5-3-4-6-15(13)22-14(2)19-16(20-22)17(23)18-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,18,23)
InChIKeyBHHMUAUJNJHBJF-UHFFFAOYSA-N
XLogP0.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692615
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
N-(2-morpholin-4-ylethyl)-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881023
6-N-(2-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096462
5-methyl-1-(2-methylphenyl)-N-[(2-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 42692616
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
1-(2-chlorophenyl)-3,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863946
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42880898

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide (CID 42692587) is 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NCCN2CCOCC2)nc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BHHMUAUJNJHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-5-3-4-6-15(13)22-14(2)19-16(20-22)17(23)18-7-8-21-9-11-24-12-10-21/h3-6H,7-12H2,1-2H3,(H,18,23).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide?
5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).