5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide

C8H9N5O2 — CID 114388995

IUPAC5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2nccnn2)CN1
InChIInChI=1S/C8H9N5O2/c14-6-3-5(4-10-6)7(15)12-8-9-1-2-11-13-8/h1-2,5H,3-4H2,(H,10,14)(H,9,12,13,15)
InChIKeyBPWSYXZUHUJPBQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP-1.05
Rot. Bonds2

About 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide

5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 114388995) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
PubChem CID114388995
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2nccnn2)CN1
InChIInChI=1S/C8H9N5O2/c14-6-3-5(4-10-6)7(15)12-8-9-1-2-11-13-8/h1-2,5H,3-4H2,(H,10,14)(H,9,12,13,15)
InChIKeyBPWSYXZUHUJPBQ-UHFFFAOYSA-N
XLogP-1.05
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide (CID 114388995) is 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2nccnn2)CN1.
What is the InChIKey of 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is BPWSYXZUHUJPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c14-6-3-5(4-10-6)7(15)12-8-9-1-2-11-13-8/h1-2,5H,3-4H2,(H,10,14)(H,9,12,13,15).
What are the key properties of 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide?
5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 207.19 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114388995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).