5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H19FN6 — CID 163347891

IUPAC5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cccnc1N1CC2CN(CCn3ccnn3)CC2C1
InChIInChI=1S/C15H19FN6/c16-14-2-1-3-17-15(14)21-10-12-8-20(9-13(12)11-21)6-7-22-5-4-18-19-22/h1-5,12-13H,6-11H2
InChIKeyCLOZYAWEWYDDBH-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.88
Rot. Bonds4

About 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 163347891) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID163347891
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC Name5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cccnc1N1CC2CN(CCn3ccnn3)CC2C1
InChIInChI=1S/C15H19FN6/c16-14-2-1-3-17-15(14)21-10-12-8-20(9-13(12)11-21)6-7-22-5-4-18-19-22/h1-5,12-13H,6-11H2
InChIKeyCLOZYAWEWYDDBH-UHFFFAOYSA-N
XLogP0.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163343479
5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932770
6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 163348113
1-(3-fluoro-2-pyridinyl)-4-methylpyrrolidin-3-amine
CID 103577365
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133412671
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 72885762
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
(3aR,5R,6R,7aS)-6-(4-fluorophenoxy)-2-(3-fluoro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172671689

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 163347891) is 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Fc1cccnc1N1CC2CN(CCn3ccnn3)CC2C1.
What is the InChIKey of 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is CLOZYAWEWYDDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c16-14-2-1-3-17-15(14)21-10-12-8-20(9-13(12)11-21)6-7-22-5-4-18-19-22/h1-5,12-13H,6-11H2.
What are the key properties of 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 302.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-pyridinyl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163347891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).