2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol

C14H20N6O — CID 80898065

IUPAC2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
SMILESNNc1nc(N2CCN(CCO)CC2)c2ccccc2n1
InChIInChI=1S/C14H20N6O/c15-18-14-16-12-4-2-1-3-11(12)13(17-14)20-7-5-19(6-8-20)9-10-21/h1-4,21H,5-10,15H2,(H,16,17,18)
InChIKeyJDMBARBWMJUKAS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.03
Rot. Bonds4

About 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol (PubChem CID 80898065) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
PubChem CID80898065
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
SMILESNNc1nc(N2CCN(CCO)CC2)c2ccccc2n1
InChIInChI=1S/C14H20N6O/c15-18-14-16-12-4-2-1-3-11(12)13(17-14)20-7-5-19(6-8-20)9-10-21/h1-4,21H,5-10,15H2,(H,16,17,18)
InChIKeyJDMBARBWMJUKAS-UHFFFAOYSA-N
XLogP0.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol (CID 80898065) is 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol is NNc1nc(N2CCN(CCO)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is JDMBARBWMJUKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c15-18-14-16-12-4-2-1-3-11(12)13(17-14)20-7-5-19(6-8-20)9-10-21/h1-4,21H,5-10,15H2,(H,16,17,18).
What are the key properties of 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 288.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 80898065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).