1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde

C19H19N5O2 — CID 118735822

IUPAC1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCOCC2)nn1
InChIInChI=1S/C19H19N5O2/c25-14-18-13-24(22-21-18)12-17-10-16(15-4-2-1-3-5-15)11-20-19(17)23-6-8-26-9-7-23/h1-5,10-11,13-14H,6-9,12H2
InChIKeyZNNIASSOZDDGHX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.04
Rot. Bonds5

About 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde

1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde (PubChem CID 118735822) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde
PubChem CID118735822
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde
SMILESO=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCOCC2)nn1
InChIInChI=1S/C19H19N5O2/c25-14-18-13-24(22-21-18)12-17-10-16(15-4-2-1-3-5-15)11-20-19(17)23-6-8-26-9-7-23/h1-5,10-11,13-14H,6-9,12H2
InChIKeyZNNIASSOZDDGHX-UHFFFAOYSA-N
XLogP2.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde?
The IUPAC name of 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde (CID 118735822) is 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde.
What is the SMILES notation for 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde?
The canonical SMILES for 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde is O=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCOCC2)nn1.
What is the InChIKey of 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde?
The InChIKey is ZNNIASSOZDDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-14-18-13-24(22-21-18)12-17-10-16(15-4-2-1-3-5-15)11-20-19(17)23-6-8-26-9-7-23/h1-5,10-11,13-14H,6-9,12H2.
What are the key properties of 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde?
1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde has a molecular weight of 349.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-5-phenyl-3-pyridinyl)methyl]triazole-4-carbaldehyde is sourced from PubChem (CID 118735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).