5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide

C20H21N5O2 — CID 73425668

IUPAC5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyKMEFEDMLPJOXGG-GOSISDBHSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds4

About 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide

5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide (PubChem CID 73425668) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
PubChem CID73425668
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyKMEFEDMLPJOXGG-GOSISDBHSA-N
XLogP2.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide (CID 73425668) is 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is KMEFEDMLPJOXGG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 73425668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).