3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C14H19N5O — CID 114633032

IUPAC3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H19N5O/c1-14(2)10(7-11(14)20)17-12-8-5-3-4-6-9(8)16-13(18-12)19-15/h3-6,10-11,20H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyBTJRJUQJYMSVCZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.49
Rot. Bonds3

About 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114633032) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114633032
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H19N5O/c1-14(2)10(7-11(14)20)17-12-8-5-3-4-6-9(8)16-13(18-12)19-15/h3-6,10-11,20H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyBTJRJUQJYMSVCZ-UHFFFAOYSA-N
XLogP1.49
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.49
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114633032) is 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BTJRJUQJYMSVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2)10(7-11(14)20)17-12-8-5-3-4-6-9(8)16-13(18-12)19-15/h3-6,10-11,20H,7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinylquinazolin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114633032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).