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

C9H14N4O3 — CID 114796594

IUPAC6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(OCCC2CCNC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-7-8(12-13-9(15)11-7)16-4-2-6-1-3-10-5-6/h6,10H,1-5H2,(H2,11,13,14,15)
InChIKeyMPAMMFJDVMLLSS-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.16
Rot. Bonds4

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

6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione (PubChem CID 114796594) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
PubChem CID114796594
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(OCCC2CCNC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-7-8(12-13-9(15)11-7)16-4-2-6-1-3-10-5-6/h6,10H,1-5H2,(H2,11,13,14,15)
InChIKeyMPAMMFJDVMLLSS-UHFFFAOYSA-N
XLogP-1.16
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
CID 114796262
6-(2-pyrrolidin-3-ylethoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114796399
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
3,6-dichloro-4-(2-pyrrolidin-3-ylethoxy)pyridazine
CID 114796380
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione (CID 114796594) is 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(OCCC2CCNC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MPAMMFJDVMLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-7-8(12-13-9(15)11-7)16-4-2-6-1-3-10-5-6/h6,10H,1-5H2,(H2,11,13,14,15).
What are the key properties of 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione?
6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-3-ylethoxy)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 114796594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).