6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione

C12H19N5O2 — CID 63257017

IUPAC6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(C3CCCN3)CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c18-11-10(15-16-12(19)14-11)17-6-3-8(4-7-17)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,14,16,18,19)
InChIKeyODESRFAVNYOCQT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.57
Rot. Bonds2

About 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione

6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 63257017) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID63257017
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(C3CCCN3)CC2)c(=O)[nH]1
InChIInChI=1S/C12H19N5O2/c18-11-10(15-16-12(19)14-11)17-6-3-8(4-7-17)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,14,16,18,19)
InChIKeyODESRFAVNYOCQT-UHFFFAOYSA-N
XLogP-0.57
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 63257017) is 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCC(C3CCCN3)CC2)c(=O)[nH]1.
What is the InChIKey of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ODESRFAVNYOCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-11-10(15-16-12(19)14-11)17-6-3-8(4-7-17)9-2-1-5-13-9/h8-9,13H,1-7H2,(H2,14,16,18,19).
What are the key properties of 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 265.32 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63257017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).