2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol

C13H19N5O2 — CID 107868727

IUPAC2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O2/c1-2-13(7-19,8-20)17-11-9-5-3-4-6-10(9)15-12(16-11)18-14/h3-6,19-20H,2,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyQATIUPLEKJWEMZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.46
Rot. Bonds6

About 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol

2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol (PubChem CID 107868727) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
PubChem CID107868727
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5O2/c1-2-13(7-19,8-20)17-11-9-5-3-4-6-10(9)15-12(16-11)18-14/h3-6,19-20H,2,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyQATIUPLEKJWEMZ-UHFFFAOYSA-N
XLogP0.46
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.46
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol (CID 107868727) is 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol?
The InChIKey is QATIUPLEKJWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-13(7-19,8-20)17-11-9-5-3-4-6-10(9)15-12(16-11)18-14/h3-6,19-20H,2,7-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol?
2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol has a molecular weight of 277.33 g/mol, XLogP of 0.46, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).