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

C11H15N9O — CID 80909185

IUPAC5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESNNc1nc(NCC2CCC(=O)N2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N9O/c12-19-10-16-9(13-6-7-2-3-8(21)15-7)17-11(18-10)20-5-1-4-14-20/h1,4-5,7H,2-3,6,12H2,(H,15,21)(H2,13,16,17,18,19)
InChIKeyQQUGRTGKWBOSIO-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.97
Rot. Bonds5

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

5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 80909185) has the molecular formula C11H15N9O and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
PubChem CID80909185
Molecular FormulaC11H15N9O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
SMILESNNc1nc(NCC2CCC(=O)N2)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N9O/c12-19-10-16-9(13-6-7-2-3-8(21)15-7)17-11(18-10)20-5-1-4-14-20/h1,4-5,7H,2-3,6,12H2,(H,15,21)(H2,13,16,17,18,19)
InChIKeyQQUGRTGKWBOSIO-UHFFFAOYSA-N
XLogP-0.97
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.97
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 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80910159
4-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
CID 106198880
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
[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
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 83171913

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one (CID 80909185) is 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one is NNc1nc(NCC2CCC(=O)N2)nc(-n2cccn2)n1.
What is the InChIKey of 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is QQUGRTGKWBOSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N9O/c12-19-10-16-9(13-6-7-2-3-8(21)15-7)17-11(18-10)20-5-1-4-14-20/h1,4-5,7H,2-3,6,12H2,(H,15,21)(H2,13,16,17,18,19).
What are the key properties of 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one?
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 289.30 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80909185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).