N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide

C19H19N5O2 — CID 73425671

IUPACN-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1
InChIKeyLDPLZVASDOKHIH-SFHVURJKSA-N
MW349.39 g/mol
LogP2.18
Rot. Bonds4

About N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide

N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide (PubChem CID 73425671) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
PubChem CID73425671
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1
InChIKeyLDPLZVASDOKHIH-SFHVURJKSA-N
XLogP2.18
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.18
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
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
2-(4-methylphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425887

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide (CID 73425671) is N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is LDPLZVASDOKHIH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(17-12-21-24(23-17)16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)18-13-20-10-11-26-18/h1-9,12,18,20H,10-11,13H2,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide?
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 73425671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).