N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C15H19N5O2 — CID 42692504

IUPACN-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c21-15(16-6-7-19-8-10-22-11-9-19)14-17-12-20(18-14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,21)
InChIKeyFIZRHJLQVGJLCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.33
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692504) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692504
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c21-15(16-6-7-19-8-10-22-11-9-19)14-17-12-20(18-14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,21)
InChIKeyFIZRHJLQVGJLCO-UHFFFAOYSA-N
XLogP0.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.33
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
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-(2-morpholin-4-ylethyl)-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42881023
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75455855
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 N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692504) is N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NCCN1CCOCC1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FIZRHJLQVGJLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(16-6-7-19-8-10-22-11-9-19)14-17-12-20(18-14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).