4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one

C10H13N9O — CID 106198880

IUPAC4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N9O/c11-18-9-15-8(14-6-4-7(20)12-5-6)16-10(17-9)19-3-1-2-13-19/h1-3,6H,4-5,11H2,(H,12,20)(H2,14,15,16,17,18)
InChIKeyBMHJUNXEAVBPQP-UHFFFAOYSA-N
MW275.28 g/mol
LogP-1.36
Rot. Bonds4

About 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one

4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one (PubChem CID 106198880) has the molecular formula C10H13N9O and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
PubChem CID106198880
Molecular FormulaC10H13N9O
Molecular Weight275.28 g/mol
Exact Mass275.12
IUPAC Name4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N9O/c11-18-9-15-8(14-6-4-7(20)12-5-6)16-10(17-9)19-3-1-2-13-19/h1-3,6H,4-5,11H2,(H,12,20)(H2,14,15,16,17,18)
InChIKeyBMHJUNXEAVBPQP-UHFFFAOYSA-N
XLogP-1.36
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213
4-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]pyrrolidin-2-one
CID 106192252
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
(4-cyclobutyloxy-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80930532
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 115563123
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-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one (CID 106198880) is 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one is NNc1nc(NC2CNC(=O)C2)nc(-n2cccn2)n1.
What is the InChIKey of 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is BMHJUNXEAVBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N9O/c11-18-9-15-8(14-6-4-7(20)12-5-6)16-10(17-9)19-3-1-2-13-19/h1-3,6H,4-5,11H2,(H,12,20)(H2,14,15,16,17,18).
What are the key properties of 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 275.28 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).