[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine

C12H13F3N4 — CID 106584377

IUPAC[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H13F3N4/c1-6(2)10-17-9-5-7(12(13,14)15)3-4-8(9)11(18-10)19-16/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyITLHWVXAYUGGTR-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.06
Rot. Bonds2

About [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine

[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine (PubChem CID 106584377) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine
PubChem CID106584377
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H13F3N4/c1-6(2)10-17-9-5-7(12(13,14)15)3-4-8(9)11(18-10)19-16/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyITLHWVXAYUGGTR-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(trifluoromethyl)quinazolin-2-yl]methanol
CID 46892495
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
3,10-bis(trifluoromethyl)picene
CID 88902241
4-chloro-2-(1,1,2,2-tetrafluoroethyl)-7-(trifluoromethyl)quinazoline
CID 114589434
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
2,11-bis(trifluoromethyl)picene
CID 88902337
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The IUPAC name of [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine (CID 106584377) is [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The canonical SMILES for [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine is CC(C)c1nc(NN)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine?
The InChIKey is ITLHWVXAYUGGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-6(2)10-17-9-5-7(12(13,14)15)3-4-8(9)11(18-10)19-16/h3-6H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine?
[2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine has a molecular weight of 270.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-7-(trifluoromethyl)quinazolin-4-yl]hydrazine is sourced from PubChem (CID 106584377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).