4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione

C10H10N8O2 — CID 80855646

IUPAC4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(N2CC(=O)NC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C10H10N8O2/c11-8-14-9(17-4-6(19)13-7(20)5-17)16-10(15-8)18-3-1-2-12-18/h1-3H,4-5H2,(H,13,19,20)(H2,11,14,15,16)
InChIKeyWCQKMSAMWWPKEQ-UHFFFAOYSA-N
MW274.24 g/mol
LogP-1.90
Rot. Bonds2

About 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione

4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione (PubChem CID 80855646) has the molecular formula C10H10N8O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
PubChem CID80855646
Molecular FormulaC10H10N8O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(N2CC(=O)NC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C10H10N8O2/c11-8-14-9(17-4-6(19)13-7(20)5-17)16-10(15-8)18-3-1-2-12-18/h1-3H,4-5H2,(H,13,19,20)(H2,11,14,15,16)
InChIKeyWCQKMSAMWWPKEQ-UHFFFAOYSA-N
XLogP-1.90
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855882
4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80832674
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 80729329
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
CID 80764992
4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80829031
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576
4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80868896
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione (CID 80855646) is 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione is Nc1nc(N2CC(=O)NC(=O)C2)nc(-n2cccn2)n1.
What is the InChIKey of 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The InChIKey is WCQKMSAMWWPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8O2/c11-8-14-9(17-4-6(19)13-7(20)5-17)16-10(15-8)18-3-1-2-12-18/h1-3H,4-5H2,(H,13,19,20)(H2,11,14,15,16).
What are the key properties of 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione has a molecular weight of 274.24 g/mol, XLogP of -1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 80855646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).