3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide

C11H14N6O2 — CID 114154625

IUPAC3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
SMILESNNc1nc(NCC(O)C(N)=O)c2ccccc2n1
InChIInChI=1S/C11H14N6O2/c12-9(19)8(18)5-14-10-6-3-1-2-4-7(6)15-11(16-10)17-13/h1-4,8,18H,5,13H2,(H2,12,19)(H2,14,15,16,17)
InChIKeyPYCBSTHBAHQUMM-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.83
Rot. Bonds5

About 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide

3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 114154625) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
PubChem CID114154625
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
SMILESNNc1nc(NCC(O)C(N)=O)c2ccccc2n1
InChIInChI=1S/C11H14N6O2/c12-9(19)8(18)5-14-10-6-3-1-2-4-7(6)15-11(16-10)17-13/h1-4,8,18H,5,13H2,(H2,12,19)(H2,14,15,16,17)
InChIKeyPYCBSTHBAHQUMM-UHFFFAOYSA-N
XLogP-0.83
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide (CID 114154625) is 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide is NNc1nc(NCC(O)C(N)=O)c2ccccc2n1.
What is the InChIKey of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is PYCBSTHBAHQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-9(19)8(18)5-14-10-6-3-1-2-4-7(6)15-11(16-10)17-13/h1-4,8,18H,5,13H2,(H2,12,19)(H2,14,15,16,17).
What are the key properties of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide?
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 262.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 114154625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).