1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone

C13H17N5O — CID 146443423

IUPAC1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC2=C(CNC2)C1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C13H17N5O/c19-13(8-3-9-5-14-6-10(9)4-8)18-2-1-11-12(7-18)16-17-15-11/h8,14H,1-7H2,(H,15,16,17)
InChIKeyHDXWFNDMGVOASK-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.00
Rot. Bonds1

About 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone

1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 146443423) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID146443423
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(C1CC2=C(CNC2)C1)N1CCc2n[nH]nc2C1
InChIInChI=1S/C13H17N5O/c19-13(8-3-9-5-14-6-10(9)4-8)18-2-1-11-12(7-18)16-17-15-11/h8,14H,1-7H2,(H,15,16,17)
InChIKeyHDXWFNDMGVOASK-UHFFFAOYSA-N
XLogP-0.00
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone (CID 146443423) is 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone is O=C(C1CC2=C(CNC2)C1)N1CCc2n[nH]nc2C1.
What is the InChIKey of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HDXWFNDMGVOASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(8-3-9-5-14-6-10(9)4-8)18-2-1-11-12(7-18)16-17-15-11/h8,14H,1-7H2,(H,15,16,17).
What are the key properties of 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone?
1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-5-yl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 146443423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).