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

C24H29N5O2 — CID 162661945

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)nc2C(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-9-11-20(12-10-18)29-22(26-21(27-29)19-7-5-4-6-8-19)23(30)25-17-24(2,3)28-13-15-31-16-14-28/h4-12H,13-17H2,1-3H3,(H,25,30)
InChIKeyBEBRMZWRJSGRCR-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.08
Rot. Bonds6

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

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 162661945) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID162661945
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)nc2C(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-9-11-20(12-10-18)29-22(26-21(27-29)19-7-5-4-6-8-19)23(30)25-17-24(2,3)28-13-15-31-16-14-28/h4-12H,13-17H2,1-3H3,(H,25,30)
InChIKeyBEBRMZWRJSGRCR-UHFFFAOYSA-N
XLogP3.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 162661945) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(-c3ccccc3)nc2C(=O)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BEBRMZWRJSGRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-9-11-20(12-10-18)29-22(26-21(27-29)19-7-5-4-6-8-19)23(30)25-17-24(2,3)28-13-15-31-16-14-28/h4-12H,13-17H2,1-3H3,(H,25,30).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162661945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).