2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine

C13H19N7 — CID 83027800

IUPAC2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(Nc2nc(NN)nc3ccccc23)CC1
InChIInChI=1S/C13H19N7/c1-19-6-8-20(9-7-19)18-12-10-4-2-3-5-11(10)15-13(16-12)17-14/h2-5H,6-9,14H2,1H3,(H2,15,16,17,18)
InChIKeyRAYGWVNKPLQWNN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.49
Rot. Bonds3

About 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine

2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 83027800) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID83027800
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(Nc2nc(NN)nc3ccccc23)CC1
InChIInChI=1S/C13H19N7/c1-19-6-8-20(9-7-19)18-12-10-4-2-3-5-11(10)15-13(16-12)17-14/h2-5H,6-9,14H2,1H3,(H2,15,16,17,18)
InChIKeyRAYGWVNKPLQWNN-UHFFFAOYSA-N
XLogP0.49
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine
CID 83027219
2-N-methyl-4-N-morpholin-4-ylquinazoline-2,4-diamine
CID 83027065
N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
CID 103204435
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 80913958
N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80909090
2-hydrazinyl-N-(1-methylcyclohexyl)quinazolin-4-amine
CID 80902645
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
4-chloro-N-(4-methylpiperazin-1-yl)phthalazin-1-amine
CID 83023436
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 83027800) is 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(Nc2nc(NN)nc3ccccc23)CC1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is RAYGWVNKPLQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-19-6-8-20(9-7-19)18-12-10-4-2-3-5-11(10)15-13(16-12)17-14/h2-5H,6-9,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine?
2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 83027800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).