[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

C12H17F3N4O — CID 103150526

IUPAC[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-10-17-9-4-2-1-3-8(9)11(18-10)19-16/h1-7,16H2,(H,17,18,19)
InChIKeyNSQPSUSMLOZADR-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.76
Rot. Bonds5

About [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 103150526) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID103150526
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-10-17-9-4-2-1-3-8(9)11(18-10)19-16/h1-7,16H2,(H,17,18,19)
InChIKeyNSQPSUSMLOZADR-UHFFFAOYSA-N
XLogP1.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 103150526) is [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is NNc1nc(CCOCC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is NSQPSUSMLOZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-10-17-9-4-2-1-3-8(9)11(18-10)19-16/h1-7,16H2,(H,17,18,19).
What are the key properties of [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 290.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 103150526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).