3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C18H22FN5O2 — CID 134796102

IUPAC3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCc2nnc(-c3ccc(F)cc3)n21
InChIInChI=1S/C18H22FN5O2/c19-14-3-1-13(2-4-14)17-22-21-16-6-5-15(24(16)17)18(25)20-7-8-23-9-11-26-12-10-23/h1-4,15H,5-12H2,(H,20,25)
InChIKeyGIEGEMGMZDRTNE-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.02
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134796102) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134796102
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCc2nnc(-c3ccc(F)cc3)n21
InChIInChI=1S/C18H22FN5O2/c19-14-3-1-13(2-4-14)17-22-21-16-6-5-15(24(16)17)18(25)20-7-8-23-9-11-26-12-10-23/h1-4,15H,5-12H2,(H,20,25)
InChIKeyGIEGEMGMZDRTNE-UHFFFAOYSA-N
XLogP1.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
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CID 164633804
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide
CID 97346653
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
N-ethyl-2-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78811891
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134790953
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906813
2-(3-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748313
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134796102) is 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is O=C(NCCN1CCOCC1)C1CCc2nnc(-c3ccc(F)cc3)n21.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is GIEGEMGMZDRTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-14-3-1-13(2-4-14)17-22-21-16-6-5-15(24(16)17)18(25)20-7-8-23-9-11-26-12-10-23/h1-4,15H,5-12H2,(H,20,25).
What are the key properties of 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134796102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).