4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C20H25N5O3 — CID 16672214

IUPAC4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C20H25N5O3/c26-15(23-7-8-24-14(10-23)21-22-18(24)11-1-2-11)5-6-25-19(27)16-12-3-4-13(9-12)17(16)20(25)28/h11-13,16-17H,1-10H2
InChIKeyRSENDLJUDZWZDY-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.92
Rot. Bonds4

About 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 16672214) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID16672214
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C20H25N5O3/c26-15(23-7-8-24-14(10-23)21-22-18(24)11-1-2-11)5-6-25-19(27)16-12-3-4-13(9-12)17(16)20(25)28/h11-13,16-17H,1-10H2
InChIKeyRSENDLJUDZWZDY-UHFFFAOYSA-N
XLogP0.92
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 16672214) is 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C(CCN1C(=O)C2C3CCC(C3)C2C1=O)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RSENDLJUDZWZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-15(23-7-8-24-14(10-23)21-22-18(24)11-1-2-11)5-6-25-19(27)16-12-3-4-13(9-12)17(16)20(25)28/h11-13,16-17H,1-10H2.
What are the key properties of 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 383.45 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 16672214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).