1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide

C17H22FN5O2 — CID 42961719

IUPAC1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)CN2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O2/c1-12(11-22-7-9-25-10-8-22)19-17(24)16-20-13(2)23(21-16)15-5-3-14(18)4-6-15/h3-6,12H,7-11H2,1-2H3,(H,19,24)
InChIKeyYSFGQFYKBFOXFX-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.17
Rot. Bonds5

About 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 42961719) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID42961719
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)CN2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN5O2/c1-12(11-22-7-9-25-10-8-22)19-17(24)16-20-13(2)23(21-16)15-5-3-14(18)4-6-15/h3-6,12H,7-11H2,1-2H3,(H,19,24)
InChIKeyYSFGQFYKBFOXFX-UHFFFAOYSA-N
XLogP1.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide (CID 42961719) is 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC(C)CN2CCOCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is YSFGQFYKBFOXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-12(11-22-7-9-25-10-8-22)19-17(24)16-20-13(2)23(21-16)15-5-3-14(18)4-6-15/h3-6,12H,7-11H2,1-2H3,(H,19,24).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42961719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).