4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one

C13H16N6O — CID 80915413

IUPAC4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc(NN)nc3ccccc23)CC1=O
InChIInChI=1S/C13H16N6O/c1-18-6-7-19(8-11(18)20)12-9-4-2-3-5-10(9)15-13(16-12)17-14/h2-5H,6-8,14H2,1H3,(H,15,16,17)
InChIKeyPZYJVIACQIVCSD-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.19
Rot. Bonds2

About 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one

4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one (PubChem CID 80915413) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one
PubChem CID80915413
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc(NN)nc3ccccc23)CC1=O
InChIInChI=1S/C13H16N6O/c1-18-6-7-19(8-11(18)20)12-9-4-2-3-5-10(9)15-13(16-12)17-14/h2-5H,6-8,14H2,1H3,(H,15,16,17)
InChIKeyPZYJVIACQIVCSD-UHFFFAOYSA-N
XLogP0.19
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
CID 80902799
[4-(4-cyclopropylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80900421
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065
[4-(3,4-dimethylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80909446
[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
CID 103542119
1-(2-hydrazinylquinazolin-4-yl)piperidin-3-ol
CID 80906442
[4-(2,3-dimethylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 80908196
[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]hydrazine
CID 80928083
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887980
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 67719898

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one (CID 80915413) is 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one is CN1CCN(c2nc(NN)nc3ccccc23)CC1=O.
What is the InChIKey of 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one?
The InChIKey is PZYJVIACQIVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-18-6-7-19(8-11(18)20)12-9-4-2-3-5-10(9)15-13(16-12)17-14/h2-5H,6-8,14H2,1H3,(H,15,16,17).
What are the key properties of 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one?
4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylquinazolin-4-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 80915413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).