4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one

C11H14N8O — CID 80764992

IUPAC4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
SMILESCNc1nc(N2CCNC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C11H14N8O/c1-12-9-15-10(18-6-4-13-8(20)7-18)17-11(16-9)19-5-2-3-14-19/h2-3,5H,4,6-7H2,1H3,(H,13,20)(H,12,15,16,17)
InChIKeyVQOXFGBYQTWYRY-UHFFFAOYSA-N
MW274.29 g/mol
LogP-0.96
Rot. Bonds3

About 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one

4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one (PubChem CID 80764992) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
PubChem CID80764992
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
SMILESCNc1nc(N2CCNC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C11H14N8O/c1-12-9-15-10(18-6-4-13-8(20)7-18)17-11(16-9)19-5-2-3-14-19/h2-3,5H,4,6-7H2,1H3,(H,13,20)(H,12,15,16,17)
InChIKeyVQOXFGBYQTWYRY-UHFFFAOYSA-N
XLogP-0.96
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one
CID 80749613
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80831100
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80770964
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853145
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one (CID 80764992) is 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one is CNc1nc(N2CCNC(=O)C2)nc(-n2cccn2)n1.
What is the InChIKey of 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one?
The InChIKey is VQOXFGBYQTWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O/c1-12-9-15-10(18-6-4-13-8(20)7-18)17-11(16-9)19-5-2-3-14-19/h2-3,5H,4,6-7H2,1H3,(H,13,20)(H,12,15,16,17).
What are the key properties of 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one?
4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one has a molecular weight of 274.29 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one is sourced from PubChem (CID 80764992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).