N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C13H15N5O3 — CID 136832134

IUPACN-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C13H15N5O3/c19-12(11-15-13(20)17-16-11)14-9-3-1-2-4-10(9)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,14,19)(H2,15,16,17,20)
InChIKeySMNAROMYBVBUSM-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.19
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832134) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832134
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C13H15N5O3/c19-12(11-15-13(20)17-16-11)14-9-3-1-2-4-10(9)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,14,19)(H2,15,16,17,20)
InChIKeySMNAROMYBVBUSM-UHFFFAOYSA-N
XLogP0.19
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832134) is N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is SMNAROMYBVBUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(11-15-13(20)17-16-11)14-9-3-1-2-4-10(9)18-5-7-21-8-6-18/h1-4H,5-8H2,(H,14,19)(H2,15,16,17,20).
What are the key properties of N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).