2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

C20H21N5O2 — CID 73425891

IUPAC2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1
InChIInChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-22-12-18(24-25)20(26)23-16-7-5-15(6-8-16)19-13-21-9-10-27-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeySPRKLMFRQUFLSB-LJQANCHMSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (PubChem CID 73425891) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
PubChem CID73425891
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1
InChIInChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-22-12-18(24-25)20(26)23-16-7-5-15(6-8-16)19-13-21-9-10-27-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeySPRKLMFRQUFLSB-LJQANCHMSA-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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Related Compounds

N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 73386706
5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425668
2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425669
5-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425670
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425671
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425774
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425775
2-(3-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425776
2-(3-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425777
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425778
2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (CID 73425891) is 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The InChIKey is SPRKLMFRQUFLSB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-3-2-4-17(11-14)25-22-12-18(24-25)20(26)23-16-7-5-15(6-8-16)19-13-21-9-10-27-19/h2-8,11-12,19,21H,9-10,13H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-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 2-(3-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 73425891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).