N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide

C20H27N5O3 — CID 110164803

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1
InChIInChI=1S/C20H27N5O3/c1-14-21-19(22-25(14)15-6-4-3-5-7-15)20(27)23(2)16-8-9-17(18(16)26)24-10-12-28-13-11-24/h3-7,16-18,26H,8-13H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyIUTNNPDTVOJTIS-KZNAEPCWSA-N
MW385.47 g/mol
LogP0.87
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 110164803) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID110164803
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1
InChIInChI=1S/C20H27N5O3/c1-14-21-19(22-25(14)15-6-4-3-5-7-15)20(27)23(2)16-8-9-17(18(16)26)24-10-12-28-13-11-24/h3-7,16-18,26H,8-13H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyIUTNNPDTVOJTIS-KZNAEPCWSA-N
XLogP0.87
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 110164803) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IUTNNPDTVOJTIS-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-21-19(22-25(14)15-6-4-3-5-7-15)20(27)23(2)16-8-9-17(18(16)26)24-10-12-28-13-11-24/h3-7,16-18,26H,8-13H2,1-2H3/t16-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 110164803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).