6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione

C10H16N6O2 — CID 66196209

IUPAC6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC(N3CCNCC3)C2)c(=O)[nH]1
InChIInChI=1S/C10H16N6O2/c17-9-8(13-14-10(18)12-9)16-5-7(6-16)15-3-1-11-2-4-15/h7,11H,1-6H2,(H2,12,14,17,18)
InChIKeySDZHAHFYTBAURE-UHFFFAOYSA-N
MW252.28 g/mol
LogP-2.45
Rot. Bonds2

About 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione

6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 66196209) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID66196209
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CC(N3CCNCC3)C2)c(=O)[nH]1
InChIInChI=1S/C10H16N6O2/c17-9-8(13-14-10(18)12-9)16-5-7(6-16)15-3-1-11-2-4-15/h7,11H,1-6H2,(H2,12,14,17,18)
InChIKeySDZHAHFYTBAURE-UHFFFAOYSA-N
XLogP-2.45
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3S)-3-hydroxypiperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 107225532
1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
CID 66196590
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
CID 66196786
6-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-1,2,4-triazine-3,5-dione
CID 81103963
6-[4-(4-aminophenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60875687
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057
4-(3-piperazin-1-ylazetidin-1-yl)furo[3,2-c]pyridine
CID 106535332
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 55205789
5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
CID 66196214

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 66196209) is 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CC(N3CCNCC3)C2)c(=O)[nH]1.
What is the InChIKey of 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SDZHAHFYTBAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c17-9-8(13-14-10(18)12-9)16-5-7(6-16)15-3-1-11-2-4-15/h7,11H,1-6H2,(H2,12,14,17,18).
What are the key properties of 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.28 g/mol, XLogP of -2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylazetidin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66196209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).