N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide

C16H21N5O2 — CID 46407515

IUPACN-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H21N5O2/c22-16(17-7-4-8-20-9-11-23-12-10-20)15-13-21(19-18-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,17,22)
InChIKeyKWLATKBVFNVGBS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.72
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide (PubChem CID 46407515) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
PubChem CID46407515
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H21N5O2/c22-16(17-7-4-8-20-9-11-23-12-10-20)15-13-21(19-18-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,17,22)
InChIKeyKWLATKBVFNVGBS-UHFFFAOYSA-N
XLogP0.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 45214018
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide (CID 46407515) is N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide is O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is KWLATKBVFNVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(17-7-4-8-20-9-11-23-12-10-20)15-13-21(19-18-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,17,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46407515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).