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

C10H13N9O — CID 106198852

IUPAC4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13N9O/c11-18-9-15-8(14-6-3-7(20)13-4-6)16-10(17-9)19-2-1-12-5-19/h1-2,5-6H,3-4,11H2,(H,13,20)(H2,14,15,16,17,18)
InChIKeyJMMRWIRFXPWLOD-UHFFFAOYSA-N
MW275.28 g/mol
LogP-1.36
Rot. Bonds4

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

4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one (PubChem CID 106198852) has the molecular formula C10H13N9O and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
PubChem CID106198852
Molecular FormulaC10H13N9O
Molecular Weight275.28 g/mol
Exact Mass275.12
IUPAC Name4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one
SMILESNNc1nc(NC2CNC(=O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13N9O/c11-18-9-15-8(14-6-3-7(20)13-4-6)16-10(17-9)19-2-1-12-5-19/h1-2,5-6H,3-4,11H2,(H,13,20)(H2,14,15,16,17,18)
InChIKeyJMMRWIRFXPWLOD-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one (CID 106198852) is 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one is NNc1nc(NC2CNC(=O)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is JMMRWIRFXPWLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N9O/c11-18-9-15-8(14-6-3-7(20)13-4-6)16-10(17-9)19-2-1-12-5-19/h1-2,5-6H,3-4,11H2,(H,13,20)(H2,14,15,16,17,18).
What are the key properties of 4-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one?
4-[(4-hydrazinyl-6-imidazol-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-imidazol-1-yl-1,3,5-triazin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).